bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline

C270H357N8P27 — CID 162204964

IUPACbis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESC=Cc1cccc(N(c2ccc(C)cc2)c2ccc(C)cc2)c1.C=Cc1cccc(N(c2ccc(C)cc2)c2ccc(C)cc2)c1.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)cc21.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.PP(P)P(P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/2C63H80N2.C38H32N2.2C31H46.2C22H21N.H16P14.H15P13/c2*1-9-13-15-17-19-21-43-63(44-22-20-18-16-14-10-2)61-45-57(64(53-31-23-47(5)24-32-53)55-35-27-51(28-36-55)49(7)11-3)39-41-59(61)60-42-40-58(46-62(60)63)65(54-33-25-48(6)26-34-54)56-37-29-52(30-38-56)50(8)12-4;1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36;2*1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31;2*1-4-19-6-5-7-22(16-19)23(20-12-8-17(2)9-13-20)21-14-10-18(3)11-15-21;1-9(2)13(10(3)4)14(11(5)6)12(7)8;1-8-12(9(2)3)13(10(4)5)11(6)7/h2*23-42,45-46,49-50H,9-22,43-44H2,1-8H3;3-28H,1-2H3;2*17-20,23-24H,5-16,21-22H2,1-4H3;2*4-16H,1H2,2-3H3;1-8H2;8H,1-7H2
InChIKeyAOFPCQZUCGOLLP-UHFFFAOYSA-N
MW4551.18 g/mol
LogP98.91
Rot. Bonds101

About bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 162204964) has the molecular formula C270H357N8P27 and a molecular weight of 4551.18 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID162204964
Molecular FormulaC270H357N8P27
Molecular Weight4551.18 g/mol
Exact Mass4548.11
IUPAC Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESC=Cc1cccc(N(c2ccc(C)cc2)c2ccc(C)cc2)c1.C=Cc1cccc(N(c2ccc(C)cc2)c2ccc(C)cc2)c1.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)cc21.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.PP(P)P(P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/2C63H80N2.C38H32N2.2C31H46.2C22H21N.H16P14.H15P13/c2*1-9-13-15-17-19-21-43-63(44-22-20-18-16-14-10-2)61-45-57(64(53-31-23-47(5)24-32-53)55-35-27-51(28-36-55)49(7)11-3)39-41-59(61)60-42-40-58(46-62(60)63)65(54-33-25-48(6)26-34-54)56-37-29-52(30-38-56)50(8)12-4;1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36;2*1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31;2*1-4-19-6-5-7-22(16-19)23(20-12-8-17(2)9-13-20)21-14-10-18(3)11-15-21;1-9(2)13(10(3)4)14(11(5)6)12(7)8;1-8-12(9(2)3)13(10(4)5)11(6)7/h2*23-42,45-46,49-50H,9-22,43-44H2,1-8H3;3-28H,1-2H3;2*17-20,23-24H,5-16,21-22H2,1-4H3;2*4-16H,1H2,2-3H3;1-8H2;8H,1-7H2
InChIKeyAOFPCQZUCGOLLP-UHFFFAOYSA-N
XLogP98.91
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds101
Heavy Atoms305
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004551.18
LogP ≤ 598.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline with MolForge

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Related Compounds

N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline
CID 88559551
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 157390320
N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 158073816
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
7-N-[4-(7-butan-2-yl-9,9-dimethylfluoren-2-yl)phenyl]-2-N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 129302630
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074
9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine
CID 157068052
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926

Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline (CID 162204964) is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline is C=Cc1cccc(N(c2ccc(C)cc2)c2ccc(C)cc2)c1.C=Cc1cccc(N(c2ccc(C)cc2)c2ccc(C)cc2)c1.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)CC)cc3)cc21.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.PP(P)P(P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is AOFPCQZUCGOLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H80N2.C38H32N2.2C31H46.2C22H21N.H16P14.H15P13/c2*1-9-13-15-17-19-21-43-63(44-22-20-18-16-14-10-2)61-45-57(64(53-31-23-47(5)24-32-53)55-35-27-51(28-36-55)49(7)11-3)39-41-59(61)60-42-40-58(46-62(60)63)65(54-33-25-48(6)26-34-54)56-37-29-52(30-38-56)50(8)12-4;1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36;2*1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31;2*1-4-19-6-5-7-22(16-19)23(20-12-8-17(2)9-13-20)21-14-10-18(3)11-15-21;1-9(2)13(10(3)4)14(11(5)6)12(7)8;1-8-12(9(2)3)13(10(4)5)11(6)7/h2*23-42,45-46,49-50H,9-22,43-44H2,1-8H3;3-28H,1-2H3;2*17-20,23-24H,5-16,21-22H2,1-4H3;2*4-16H,1H2,2-3H3;1-8H2;8H,1-7H2.
What are the key properties of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 4551.18 g/mol, XLogP of 98.91, 101 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 162204964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).