9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine

C66H49N3 — CID 171444293

IUPAC9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine
SMILESC1=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)C=C2C(C1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C66H49N3/c1-5-15-48(16-6-1)51-25-35-57(36-26-51)67(58-37-27-52(28-38-58)49-17-7-2-8-18-49)59-39-31-54(32-40-59)55-33-43-61(44-34-55)68(60-41-29-53(30-42-60)50-19-9-3-10-20-50)62-45-46-64-63-23-13-14-24-65(63)69(66(64)47-62)56-21-11-4-12-22-56/h1-45,47,64H,46H2
InChIKeyRYFHLUADSSEFEX-UHFFFAOYSA-N
MW884.14 g/mol
LogP18.07
Rot. Bonds11

About 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine

9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine (PubChem CID 171444293) has the molecular formula C66H49N3 and a molecular weight of 884.14 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine
PubChem CID171444293
Molecular FormulaC66H49N3
Molecular Weight884.14 g/mol
Exact Mass883.39
IUPAC Name9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine
SMILESC1=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)C=C2C(C1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C66H49N3/c1-5-15-48(16-6-1)51-25-35-57(36-26-51)67(58-37-27-52(28-38-58)49-17-7-2-8-18-49)59-39-31-54(32-40-59)55-33-43-61(44-34-55)68(60-41-29-53(30-42-60)50-19-9-3-10-20-50)62-45-46-64-63-23-13-14-24-65(63)69(66(64)47-62)56-21-11-4-12-22-56/h1-45,47,64H,46H2
InChIKeyRYFHLUADSSEFEX-UHFFFAOYSA-N
XLogP18.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.14
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-4,4a-dihydrocarbazole
CID 139382101
N-[4-(5,6-dimethyl-9-phenyl-4b,5,6,7-tetrahydrocarbazol-3-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-4-phenylaniline
CID 145377451
12-phenyl-5-(4-phenylphenyl)-7,7a-dihydroindolo[3,2-c]carbazole
CID 134556780
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 129062242
17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene
CID 145258740
N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 159696695
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine?
The IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine (CID 171444293) is 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine is C1=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)C=C2C(C1)c1ccccc1N2c1ccccc1.
What is the InChIKey of 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine?
The InChIKey is RYFHLUADSSEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N3/c1-5-15-48(16-6-1)51-25-35-57(36-26-51)67(58-37-27-52(28-38-58)49-17-7-2-8-18-49)59-39-31-54(32-40-59)55-33-43-61(44-34-55)68(60-41-29-53(30-42-60)50-19-9-3-10-20-50)62-45-46-64-63-23-13-14-24-65(63)69(66(64)47-62)56-21-11-4-12-22-56/h1-45,47,64H,46H2.
What are the key properties of 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine?
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine has a molecular weight of 884.14 g/mol, XLogP of 18.07, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine is sourced from PubChem (CID 171444293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).