8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine

C47H33NO — CID 167340421

IUPAC8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)c2cc(-c4cccc5ccccc45)ccc2-3)cc1
InChIInChI=1S/C47H33NO/c1-5-18-36(19-6-1)47(37-20-7-2-8-21-37)45-32-35(42-27-15-17-34-16-13-14-26-41(34)42)28-30-43(45)44-31-29-40(33-46(44)49-47)48(38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-33H
InChIKeyIEAXDBSPVKSZMZ-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.33
Rot. Bonds6

About 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine

8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine (PubChem CID 167340421) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine.

Molecular Properties

Compound Name8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine
PubChem CID167340421
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC Name8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)c2cc(-c4cccc5ccccc45)ccc2-3)cc1
InChIInChI=1S/C47H33NO/c1-5-18-36(19-6-1)47(37-20-7-2-8-21-37)45-32-35(42-27-15-17-34-16-13-14-26-41(34)42)28-30-43(45)44-31-29-40(33-46(44)49-47)48(38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-33H
InChIKeyIEAXDBSPVKSZMZ-UHFFFAOYSA-N
XLogP12.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine
CID 167340409
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine?
The IUPAC name of 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine (CID 167340421) is 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine.
What is the SMILES notation for 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine?
The canonical SMILES for 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)c2cc(-c4cccc5ccccc45)ccc2-3)cc1.
What is the InChIKey of 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine?
The InChIKey is IEAXDBSPVKSZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-5-18-36(19-6-1)47(37-20-7-2-8-21-37)45-32-35(42-27-15-17-34-16-13-14-26-41(34)42)28-30-43(45)44-31-29-40(33-46(44)49-47)48(38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-33H.
What are the key properties of 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine?
8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine has a molecular weight of 627.79 g/mol, XLogP of 12.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine is sourced from PubChem (CID 167340421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).