N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline

C66H44N2 — CID 146578481

IUPACN-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H44N2/c1-2-12-45(13-3-1)46-22-24-47(25-23-46)49-30-35-53(36-31-49)67(55-39-41-56(42-40-55)68-65-20-10-8-18-62(65)63-19-9-11-21-66(63)68)54-37-32-50(33-38-54)48-26-28-51(29-27-48)52-34-43-61-59-16-5-4-14-57(59)58-15-6-7-17-60(58)64(61)44-52/h1-44H
InChIKeyRSSOVPGTKWTAKL-UHFFFAOYSA-N
MW865.09 g/mol
LogP18.38
Rot. Bonds8

About N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline (PubChem CID 146578481) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline
PubChem CID146578481
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H44N2/c1-2-12-45(13-3-1)46-22-24-47(25-23-46)49-30-35-53(36-31-49)67(55-39-41-56(42-40-55)68-65-20-10-8-18-62(65)63-19-9-11-21-66(63)68)54-37-32-50(33-38-54)48-26-28-51(29-27-48)52-34-43-61-59-16-5-4-14-57(59)58-15-6-7-17-60(58)64(61)44-52/h1-44H
InChIKeyRSSOVPGTKWTAKL-UHFFFAOYSA-N
XLogP18.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.09
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline (CID 146578481) is N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline?
The InChIKey is RSSOVPGTKWTAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-2-12-45(13-3-1)46-22-24-47(25-23-46)49-30-35-53(36-31-49)67(55-39-41-56(42-40-55)68-65-20-10-8-18-62(65)63-19-9-11-21-66(63)68)54-37-32-50(33-38-54)48-26-28-51(29-27-48)52-34-43-61-59-16-5-4-14-57(59)58-15-6-7-17-60(58)64(61)44-52/h1-44H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline has a molecular weight of 865.09 g/mol, XLogP of 18.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 146578481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).