3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

C62H42N2 — CID 169065260

IUPAC3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C62H42N2/c1-5-19-43(20-6-1)61-56-33-14-13-31-53(56)54-37-35-47(42-58(54)62(61)44-21-7-2-8-22-44)45-23-17-29-51(39-45)63(49-25-9-3-10-26-49)52-30-18-24-46(40-52)48-36-38-60-57(41-48)55-32-15-16-34-59(55)64(60)50-27-11-4-12-28-50/h1-42H
InChIKeyFSZKCFKQGGQJMG-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 169065260) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID169065260
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC Name3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C62H42N2/c1-5-19-43(20-6-1)61-56-33-14-13-31-53(56)54-37-35-47(42-58(54)62(61)44-21-7-2-8-22-44)45-23-17-29-51(39-45)63(49-25-9-3-10-26-49)52-30-18-24-46(40-52)48-36-38-60-57(41-48)55-32-15-16-34-59(55)64(60)50-27-11-4-12-28-50/h1-42H
InChIKeyFSZKCFKQGGQJMG-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.23
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

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
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
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)aniline
CID 169065141
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3-(9,10-diphenylphenanthren-2-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169062702
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
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
CID 169064644
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
CID 169064223
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269

Frequently Asked Questions

What is the IUPAC name of 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 169065260) is 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is FSZKCFKQGGQJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-5-19-43(20-6-1)61-56-33-14-13-31-53(56)54-37-35-47(42-58(54)62(61)44-21-7-2-8-22-44)45-23-17-29-51(39-45)63(49-25-9-3-10-26-49)52-30-18-24-46(40-52)48-36-38-60-57(41-48)55-32-15-16-34-59(55)64(60)50-27-11-4-12-28-50/h1-42H.
What are the key properties of 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 169065260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).