6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

C53H41N — CID 170413084

IUPAC6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCC1(C)c2c(c(-c3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)ccc4c3)cc3ccccc23)C2C=CC=CC21
InChIInChI=1S/C53H41N/c1-53(2)49-23-13-11-22-47(49)51-48(35-41-19-9-10-21-46(41)52(51)53)42-26-25-40-34-44(32-29-39(40)33-42)54(43-30-27-37(28-31-43)36-15-5-3-6-16-36)50-24-14-12-20-45(50)38-17-7-4-8-18-38/h3-35,47,49H,1-2H3
InChIKeyIHVRASBLWWYBDB-UHFFFAOYSA-N
MW691.92 g/mol
LogP14.58
Rot. Bonds6

About 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 170413084) has the molecular formula C53H41N and a molecular weight of 691.92 g/mol. Its IUPAC name is 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID170413084
Molecular FormulaC53H41N
Molecular Weight691.92 g/mol
Exact Mass691.32
IUPAC Name6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCC1(C)c2c(c(-c3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)ccc4c3)cc3ccccc23)C2C=CC=CC21
InChIInChI=1S/C53H41N/c1-53(2)49-23-13-11-22-47(49)51-48(35-41-19-9-10-21-46(41)52(51)53)42-26-25-40-34-44(32-29-39(40)33-42)54(43-30-27-37(28-31-43)36-15-5-3-6-16-36)50-24-14-12-20-45(50)38-17-7-4-8-18-38/h3-35,47,49H,1-2H3
InChIKeyIHVRASBLWWYBDB-UHFFFAOYSA-N
XLogP14.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.92
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130289942
16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032610
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290160
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167182064
N-[4-[6-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[2-[3-[2-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-[2-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158773609
N-(3-benzo[c]phenanthren-5-ylphenyl)-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183480
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062758
2-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 177100332
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 166845854
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892

Frequently Asked Questions

What is the IUPAC name of 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (CID 170413084) is 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is CC1(C)c2c(c(-c3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)ccc4c3)cc3ccccc23)C2C=CC=CC21.
What is the InChIKey of 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is IHVRASBLWWYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N/c1-53(2)49-23-13-11-22-47(49)51-48(35-41-19-9-10-21-46(41)52(51)53)42-26-25-40-34-44(32-29-39(40)33-42)54(43-30-27-37(28-31-43)36-15-5-3-6-16-36)50-24-14-12-20-45(50)38-17-7-4-8-18-38/h3-35,47,49H,1-2H3.
What are the key properties of 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 691.92 g/mol, XLogP of 14.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170413084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).