N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine

C49H35NO — CID 167340409

IUPACN,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)Oc2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C49H35NO/c1-6-18-36(19-7-1)43-28-16-17-29-44(43)37-30-32-45-46-33-31-42(50(40-24-12-4-13-25-40)41-26-14-5-15-27-41)35-48(46)51-49(47(45)34-37,38-20-8-2-9-21-38)39-22-10-3-11-23-39/h1-35H
InChIKeyNZROCVXAEIKXKT-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.84
Rot. Bonds7

About N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine

N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine (PubChem CID 167340409) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine.

Molecular Properties

Compound NameN,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine
PubChem CID167340409
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)Oc2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C49H35NO/c1-6-18-36(19-7-1)43-28-16-17-29-44(43)37-30-32-45-46-33-31-42(50(40-24-12-4-13-25-40)41-26-14-5-15-27-41)35-48(46)51-49(47(45)34-37,38-20-8-2-9-21-38)39-22-10-3-11-23-39/h1-35H
InChIKeyNZROCVXAEIKXKT-UHFFFAOYSA-N
XLogP12.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine
CID 167340421
N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine
CID 167340346
6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
CID 167340404
6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
CID 167340414
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 156578662
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633

Frequently Asked Questions

What is the IUPAC name of N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine?
The IUPAC name of N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine (CID 167340409) is N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine.
What is the SMILES notation for N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine?
The canonical SMILES for N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine is c1ccc(-c2ccccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)Oc2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1.
What is the InChIKey of N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine?
The InChIKey is NZROCVXAEIKXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-6-18-36(19-7-1)43-28-16-17-29-44(43)37-30-32-45-46-33-31-42(50(40-24-12-4-13-25-40)41-26-14-5-15-27-41)35-48(46)51-49(47(45)34-37,38-20-8-2-9-21-38)39-22-10-3-11-23-39/h1-35H.
What are the key properties of N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine?
N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine has a molecular weight of 653.83 g/mol, XLogP of 12.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine is sourced from PubChem (CID 167340409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).