N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine

C47H33NO — CID 170412879

IUPACN-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C47H33NO/c1-47(2)42-18-10-8-17-39(42)45-40(28-32-12-6-7-15-37(32)46(45)47)33-21-20-31-27-35(23-22-30(31)26-33)48(34-13-4-3-5-14-34)36-24-25-44-41(29-36)38-16-9-11-19-43(38)49-44/h3-29H,1-2H3
InChIKeyZHJJTOXXJLJHKC-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.34
Rot. Bonds4

About N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine

N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine (PubChem CID 170412879) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine
PubChem CID170412879
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC NameN-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C47H33NO/c1-47(2)42-18-10-8-17-39(42)45-40(28-32-12-6-7-15-37(32)46(45)47)33-21-20-31-27-35(23-22-30(31)26-33)48(34-13-4-3-5-14-34)36-24-25-44-41(29-36)38-16-9-11-19-43(38)49-44/h3-29H,1-2H3
InChIKeyZHJJTOXXJLJHKC-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170413017
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170412936
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine
CID 170412884
N-(11,11-dimethylbenzo[b]fluoren-8-yl)-N-phenyldibenzofuran-2-amine
CID 156554384
N-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323768
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280503
N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167323880
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-N-phenyldibenzofuran-2-amine
CID 121431585
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626

Frequently Asked Questions

What is the IUPAC name of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine (CID 170412879) is N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine is CC1(C)c2ccccc2-c2c(-c3ccc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4c3)cc3ccccc3c21.
What is the InChIKey of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine?
The InChIKey is ZHJJTOXXJLJHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-47(2)42-18-10-8-17-39(42)45-40(28-32-12-6-7-15-37(32)46(45)47)33-21-20-31-27-35(23-22-30(31)26-33)48(34-13-4-3-5-14-34)36-24-25-44-41(29-36)38-16-9-11-19-43(38)49-44/h3-29H,1-2H3.
What are the key properties of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine?
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine has a molecular weight of 627.79 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 170412879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).