N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline

C59H41N3 — CID 129294355

IUPACN,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc3n4-c3ccc(-c4cncc(-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C59H41N3/c1-5-15-42(16-6-1)45-19-13-20-46(35-45)48-29-33-58-56(38-48)57-39-49(47-21-14-26-55(37-47)61(52-22-9-3-10-23-52)53-24-11-4-12-25-53)30-34-59(57)62(58)54-31-27-44(28-32-54)51-36-50(40-60-41-51)43-17-7-2-8-18-43/h1-41H
InChIKeyGKGNRSYEQRTTFQ-UHFFFAOYSA-N
MW792.00 g/mol
LogP15.98
Rot. Bonds9

About N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline

N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline (PubChem CID 129294355) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline
PubChem CID129294355
Molecular FormulaC59H41N3
Molecular Weight792.00 g/mol
Exact Mass791.33
IUPAC NameN,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc3n4-c3ccc(-c4cncc(-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C59H41N3/c1-5-15-42(16-6-1)45-19-13-20-46(35-45)48-29-33-58-56(38-48)57-39-49(47-21-14-26-55(37-47)61(52-22-9-3-10-23-52)53-24-11-4-12-25-53)30-34-59(57)62(58)54-31-27-44(28-32-54)51-36-50(40-60-41-51)43-17-7-2-8-18-43/h1-41H
InChIKeyGKGNRSYEQRTTFQ-UHFFFAOYSA-N
XLogP15.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 59372075
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline?
The IUPAC name of N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline (CID 129294355) is N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline?
The canonical SMILES for N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc3n4-c3ccc(-c4cncc(-c5ccccc5)c4)cc3)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline?
The InChIKey is GKGNRSYEQRTTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-5-15-42(16-6-1)45-19-13-20-46(35-45)48-29-33-58-56(38-48)57-39-49(47-21-14-26-55(37-47)61(52-22-9-3-10-23-52)53-24-11-4-12-25-53)30-34-59(57)62(58)54-31-27-44(28-32-54)51-36-50(40-60-41-51)43-17-7-2-8-18-43/h1-41H.
What are the key properties of N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline?
N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline has a molecular weight of 792.00 g/mol, XLogP of 15.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline is sourced from PubChem (CID 129294355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).