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

C181H167N10P — CID 158948517

IUPAC4-(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
SMILESC.Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4cccc(C)c4)ccc2-3)c1.Cc1cccc(N(c2ccccc2)c2ccccc2)c1.Cc1ccccc1.Nc1ccc(-c2ccc(N)cc2)cc1.[2H]P[3H].c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1
InChIInChI=1S/C41H36N2.C38H32N2.C31H27N3.C19H17N.C12H12N2.2C10H8.C7H8.2C6H6.CH4.H3P/c1-29-13-11-19-33(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;1-24-9-8-14-31(23-24)34(29-12-6-3-7-13-29)30-21-19-28(20-22-30)33-27-17-15-26(16-18-27)32-25-10-4-2-5-11-25;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;;/h5-28H,1-4H3;3-28H,1-2H3;2-23,32-33H,1H3;2-15H,1H3;1-8H,13-14H2;2*1-8H;2-6H,1H3;2*1-6H;1H4;1H3/i;;;;;;;;;;;1TD
InChIKeyJLCYIZOIULCWMP-ZJJHFWGMSA-N
MW2516.39 g/mol
LogP51.14
Rot. Bonds24

About 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

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 (PubChem CID 158948517) has the molecular formula C181H167N10P and a molecular weight of 2516.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158948517
Molecular FormulaC181H167N10P
Molecular Weight2516.39 g/mol
Exact Mass2514.33
IUPAC Name4-(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
SMILESC.Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4cccc(C)c4)ccc2-3)c1.Cc1cccc(N(c2ccccc2)c2ccccc2)c1.Cc1ccccc1.Nc1ccc(-c2ccc(N)cc2)cc1.[2H]P[3H].c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1
InChIInChI=1S/C41H36N2.C38H32N2.C31H27N3.C19H17N.C12H12N2.2C10H8.C7H8.2C6H6.CH4.H3P/c1-29-13-11-19-33(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;1-24-9-8-14-31(23-24)34(29-12-6-3-7-13-29)30-21-19-28(20-22-30)33-27-17-15-26(16-18-27)32-25-10-4-2-5-11-25;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;;/h5-28H,1-4H3;3-28H,1-2H3;2-23,32-33H,1H3;2-15H,1H3;1-8H,13-14H2;2*1-8H;2-6H,1H3;2*1-6H;1H4;1H3/i;;;;;;;;;;;1TD
InChIKeyJLCYIZOIULCWMP-ZJJHFWGMSA-N
XLogP51.14
TPSA95.54 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002516.39
LogP ≤ 551.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428412
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
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline
CID 159499057
2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 158074097
9,9-dimethyl-N-(3-methylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159753254
7-(4-anilinophenyl)-9,9-dimethylfluoren-2-amine
CID 142967651
CID 159696622
CID 159696622
5-(4-anilinophenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71054362
1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142252530

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)c1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4cccc(C)c4)ccc2-3)c1.Cc1cccc(N(c2ccccc2)c2ccccc2)c1.Cc1ccccc1.Nc1ccc(-c2ccc(N)cc2)cc1.[2H]P[3H].c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.
What is the InChIKey of 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?
The InChIKey is JLCYIZOIULCWMP-ZJJHFWGMSA-N. The full InChI is InChI=1S/C41H36N2.C38H32N2.C31H27N3.C19H17N.C12H12N2.2C10H8.C7H8.2C6H6.CH4.H3P/c1-29-13-11-19-33(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;1-24-9-8-14-31(23-24)34(29-12-6-3-7-13-29)30-21-19-28(20-22-30)33-27-17-15-26(16-18-27)32-25-10-4-2-5-11-25;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;;/h5-28H,1-4H3;3-28H,1-2H3;2-23,32-33H,1H3;2-15H,1H3;1-8H,13-14H2;2*1-8H;2-6H,1H3;2*1-6H;1H4;1H3/i;;;;;;;;;;;1TD.
What are the key properties of 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?
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 has a molecular weight of 2516.39 g/mol, XLogP of 51.14, 24 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158948517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).