9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine

C51H42N2 — CID 144896705

IUPAC9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccccc3)c3ccc(C4=Cc5c(n(-c6ccc(-c7ccccc7)cc6)c6ccccc56)CC4)cc3)=CCC2c2ccccc21
InChIInChI=1S/C51H42N2/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(39-15-7-4-8-16-39)40-26-23-37(24-27-40)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)41-28-21-36(22-29-41)35-13-5-3-6-14-35/h3-24,26-30,33-34,44H,25,31-32H2,1-2H3
InChIKeyDNWINKTXOGXUDC-UHFFFAOYSA-N
MW682.91 g/mol
LogP13.21
Rot. Bonds6

About 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine (PubChem CID 144896705) has the molecular formula C51H42N2 and a molecular weight of 682.91 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine
PubChem CID144896705
Molecular FormulaC51H42N2
Molecular Weight682.91 g/mol
Exact Mass682.33
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccccc3)c3ccc(C4=Cc5c(n(-c6ccc(-c7ccccc7)cc6)c6ccccc56)CC4)cc3)=CCC2c2ccccc21
InChIInChI=1S/C51H42N2/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(39-15-7-4-8-16-39)40-26-23-37(24-27-40)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)41-28-21-36(22-29-41)35-13-5-3-6-14-35/h3-24,26-30,33-34,44H,25,31-32H2,1-2H3
InChIKeyDNWINKTXOGXUDC-UHFFFAOYSA-N
XLogP13.21
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 ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine
CID 167246980
N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 163747125
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
CID 122691770
4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269
N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167143221
9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine
CID 156558959
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine
CID 170304185
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
N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine
CID 88979154
4-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138529075
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine (CID 144896705) is 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine is CC1(C)C2=CC(N(c3ccccc3)c3ccc(C4=Cc5c(n(-c6ccc(-c7ccccc7)cc6)c6ccccc56)CC4)cc3)=CCC2c2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine?
The InChIKey is DNWINKTXOGXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N2/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(39-15-7-4-8-16-39)40-26-23-37(24-27-40)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)41-28-21-36(22-29-41)35-13-5-3-6-14-35/h3-24,26-30,33-34,44H,25,31-32H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine has a molecular weight of 682.91 g/mol, XLogP of 13.21, 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-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine is sourced from PubChem (CID 144896705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).