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

C47H33NS — CID 170412884

IUPACN-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C47H33NS/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
InChIKeyAYYSUGQNWJFITR-UHFFFAOYSA-N
MW643.86 g/mol
LogP13.80
Rot. Bonds4

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

N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine (PubChem CID 170412884) has the molecular formula C47H33NS and a molecular weight of 643.86 g/mol. Its IUPAC name is N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine
PubChem CID170412884
Molecular FormulaC47H33NS
Molecular Weight643.86 g/mol
Exact Mass643.23
IUPAC NameN-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C47H33NS/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
InChIKeyAYYSUGQNWJFITR-UHFFFAOYSA-N
XLogP13.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine with MolForge

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Related Compounds

N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine
CID 170412879
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170413017
N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929371
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170412674
11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280503
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-6-phenylbenzo[a]fluoren-8-amine
CID 170372796
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 172508899
N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113932

Frequently Asked Questions

What is the IUPAC name of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine (CID 170412884) is N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine is CC1(C)c2ccccc2-c2c(-c3ccc4cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)ccc4c3)cc3ccccc3c21.
What is the InChIKey of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine?
The InChIKey is AYYSUGQNWJFITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NS/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-phenyldibenzothiophen-2-amine?
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine has a molecular weight of 643.86 g/mol, XLogP of 13.80, 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-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 170412884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).