2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene

C188H138N6 — CID 162128931

IUPAC2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc3c(-c4cccc5ccccc45)cc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c3c2)cc1
InChIInChI=1S/C54H44N2.C48H34N2.C44H28.C42H32N2/c1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44;1-3-12-35(13-4-1)37-22-28-41(29-23-37)49(44-17-11-16-40(34-44)36-14-5-2-6-15-36)42-30-24-38(25-31-42)39-26-32-43(33-27-39)50-47-20-9-7-18-45(47)46-19-8-10-21-48(46)50;1-2-11-29(12-3-1)33-23-24-39-41(26-33)44-27-40(34-22-21-30-13-4-5-15-32(30)25-34)37-18-8-9-19-38(37)43(44)28-42(39)36-20-10-16-31-14-6-7-17-35(31)36;1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28/h5-36H,1-4H3;1-34H;1-28H;5-24H,1-4H3
InChIKeyZIKHJNFZOPIJSU-UHFFFAOYSA-N
MW2481.21 g/mol
LogP51.34
Rot. Bonds19

About 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene

2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene (PubChem CID 162128931) has the molecular formula C188H138N6 and a molecular weight of 2481.21 g/mol. Its IUPAC name is 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene.

Molecular Properties

Compound Name2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene
PubChem CID162128931
Molecular FormulaC188H138N6
Molecular Weight2481.21 g/mol
Exact Mass2479.10
IUPAC Name2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc3c(-c4cccc5ccccc45)cc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c3c2)cc1
InChIInChI=1S/C54H44N2.C48H34N2.C44H28.C42H32N2/c1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44;1-3-12-35(13-4-1)37-22-28-41(29-23-37)49(44-17-11-16-40(34-44)36-14-5-2-6-15-36)42-30-24-38(25-31-42)39-26-32-43(33-27-39)50-47-20-9-7-18-45(47)46-19-8-10-21-48(46)50;1-2-11-29(12-3-1)33-23-24-39-41(26-33)44-27-40(34-22-21-30-13-4-5-15-32(30)25-34)37-18-8-9-19-38(37)43(44)28-42(39)36-20-10-16-31-14-6-7-17-35(31)36;1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28/h5-36H,1-4H3;1-34H;1-28H;5-24H,1-4H3
InChIKeyZIKHJNFZOPIJSU-UHFFFAOYSA-N
XLogP51.34
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002481.21
LogP ≤ 551.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene with MolForge

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393480
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(6-phenylnaphthalen-2-yl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158174962
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-[4-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 160984128
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159884848
9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100908
3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 159654715
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161026031
7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 157400056
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene?
The IUPAC name of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene (CID 162128931) is 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene.
What is the SMILES notation for 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene?
The canonical SMILES for 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc3c(-c4cccc5ccccc45)cc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c3c2)cc1.
What is the InChIKey of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene?
The InChIKey is ZIKHJNFZOPIJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2.C48H34N2.C44H28.C42H32N2/c1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44;1-3-12-35(13-4-1)37-22-28-41(29-23-37)49(44-17-11-16-40(34-44)36-14-5-2-6-15-36)42-30-24-38(25-31-42)39-26-32-43(33-27-39)50-47-20-9-7-18-45(47)46-19-8-10-21-48(46)50;1-2-11-29(12-3-1)33-23-24-39-41(26-33)44-27-40(34-22-21-30-13-4-5-15-32(30)25-34)37-18-8-9-19-38(37)43(44)28-42(39)36-20-10-16-31-14-6-7-17-35(31)36;1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28/h5-36H,1-4H3;1-34H;1-28H;5-24H,1-4H3.
What are the key properties of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene?
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene has a molecular weight of 2481.21 g/mol, XLogP of 51.34, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;12-naphthalen-1-yl-6-naphthalen-2-yl-3-phenylchrysene is sourced from PubChem (CID 162128931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).