N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine

C181H157N10P — CID 159612768

IUPACN-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESC.C1=CC2C=CC=C(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)C2C=C1.Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4cccc(C)c4)ccc2-3)c1.[2H]P[3H]
InChIInChI=1S/C57H48N4.C44H34N2.C41H36N2.C38H32N2.CH4.H3P/c1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34;1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38;;/h4-42H,1-3H3;1-32,35,41H;5-28H,1-4H3;3-28H,1-2H3;1H4;1H3/i;;;;;1TD
InChIKeyMMXHMFRAEGSNQJ-HHLKWOBFSA-N
MW2506.31 g/mol
LogP51.57
Rot. Bonds32

About N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine

N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine (PubChem CID 159612768) has the molecular formula C181H157N10P and a molecular weight of 2506.31 g/mol. Its IUPAC name is N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound NameN-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
PubChem CID159612768
Molecular FormulaC181H157N10P
Molecular Weight2506.31 g/mol
Exact Mass2504.25
IUPAC NameN-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESC.C1=CC2C=CC=C(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)C2C=C1.Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4cccc(C)c4)ccc2-3)c1.[2H]P[3H]
InChIInChI=1S/C57H48N4.C44H34N2.C41H36N2.C38H32N2.CH4.H3P/c1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34;1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38;;/h4-42H,1-3H3;1-32,35,41H;5-28H,1-4H3;3-28H,1-2H3;1H4;1H3/i;;;;;1TD
InChIKeyMMXHMFRAEGSNQJ-HHLKWOBFSA-N
XLogP51.57
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002506.31
LogP ≤ 551.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine with MolForge

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Related Compounds

9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
CID 159696622
CID 159696622
2-N,7-N-bis(4-ethenylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;4-ethenyl-N-[4-[4-(N-(4-ethenylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine
CID 159874682
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043
4-(4-aminophenyl)aniline;benzene;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N,N-diphenylaniline;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;naphthalene;toluene
CID 158948517
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067766

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine (CID 159612768) is N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine is C.C1=CC2C=CC=C(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)C2C=C1.Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4cccc(C)c4)ccc2-3)c1.[2H]P[3H].
What is the InChIKey of N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The InChIKey is MMXHMFRAEGSNQJ-HHLKWOBFSA-N. The full InChI is InChI=1S/C57H48N4.C44H34N2.C41H36N2.C38H32N2.CH4.H3P/c1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34;1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38;;/h4-42H,1-3H3;1-32,35,41H;5-28H,1-4H3;3-28H,1-2H3;1H4;1H3/i;;;;;1TD.
What are the key properties of N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine has a molecular weight of 2506.31 g/mol, XLogP of 51.57, 32 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 159612768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).