9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine

C51H42N2 — CID 146189114

IUPAC9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=Cc5c(n(-c6ccccc6)c6ccccc56)CC4)cc3)C3C=C(c4ccccc4)C=CC3)cc21
InChIInChI=1S/C51H42N2/c1-51(2)47-22-11-9-20-43(47)44-30-29-42(34-48(44)51)52(41-19-13-16-37(32-41)35-14-5-3-6-15-35)40-27-24-36(25-28-40)38-26-31-50-46(33-38)45-21-10-12-23-49(45)53(50)39-17-7-4-8-18-39/h3-18,20-25,27-30,32-34,41H,19,26,31H2,1-2H3
InChIKeyCGCGSKYPDWKGRJ-UHFFFAOYSA-N
MW682.91 g/mol
LogP12.97
Rot. Bonds6

About 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 146189114) has the molecular formula C51H42N2 and a molecular weight of 682.91 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
PubChem CID146189114
Molecular FormulaC51H42N2
Molecular Weight682.91 g/mol
Exact Mass682.33
IUPAC Name9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=Cc5c(n(-c6ccccc6)c6ccccc56)CC4)cc3)C3C=C(c4ccccc4)C=CC3)cc21
InChIInChI=1S/C51H42N2/c1-51(2)47-22-11-9-20-43(47)44-30-29-42(34-48(44)51)52(41-19-13-16-37(32-41)35-14-5-3-6-15-35)40-27-24-36(25-28-40)38-26-31-50-46(33-38)45-21-10-12-23-49(45)53(50)39-17-7-4-8-18-39/h3-18,20-25,27-30,32-34,41H,19,26,31H2,1-2H3
InChIKeyCGCGSKYPDWKGRJ-UHFFFAOYSA-N
XLogP12.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.91
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
CID 122691770
9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 139551277
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
CID 155064803
N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine
CID 118189776
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]phenyl]-7,8-dihydrocarbazol-3-yl]phenyl]fluoren-2-amine
CID 170420745
9,9-dimethyl-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 144990424

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine (CID 146189114) is 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=Cc5c(n(-c6ccccc6)c6ccccc56)CC4)cc3)C3C=C(c4ccccc4)C=CC3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?
The InChIKey is CGCGSKYPDWKGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N2/c1-51(2)47-22-11-9-20-43(47)44-30-29-42(34-48(44)51)52(41-19-13-16-37(32-41)35-14-5-3-6-15-35)40-27-24-36(25-28-40)38-26-31-50-46(33-38)45-21-10-12-23-49(45)53(50)39-17-7-4-8-18-39/h3-18,20-25,27-30,32-34,41H,19,26,31H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 682.91 g/mol, XLogP of 12.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 146189114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).