N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C52H41N — CID 166906518

IUPACN-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(C3=CCCC=C3)c3ccccc3)cc21
InChIInChI=1S/C52H41N/c1-51(2)47-24-14-12-22-43(47)45-32-30-42(35-50(45)51)53(40-28-26-37(27-29-40)36-16-6-3-7-17-36)41-31-33-49-46(34-41)44-23-13-15-25-48(44)52(49,38-18-8-4-9-19-38)39-20-10-5-11-21-39/h3-4,6-10,12-35H,5,11H2,1-2H3
InChIKeyKNAPXAVRLWNHLJ-UHFFFAOYSA-N
MW679.91 g/mol
LogP13.72
Rot. Bonds6

About N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 166906518) has the molecular formula C52H41N and a molecular weight of 679.91 g/mol. Its IUPAC name is N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID166906518
Molecular FormulaC52H41N
Molecular Weight679.91 g/mol
Exact Mass679.32
IUPAC NameN-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(C3=CCCC=C3)c3ccccc3)cc21
InChIInChI=1S/C52H41N/c1-51(2)47-24-14-12-22-43(47)45-32-30-42(35-50(45)51)53(40-28-26-37(27-29-40)36-16-6-3-7-17-36)41-31-33-49-46(34-41)44-23-13-15-25-48(44)52(49,38-18-8-4-9-19-38)39-20-10-5-11-21-39/h3-4,6-10,12-35H,5,11H2,1-2H3
InChIKeyKNAPXAVRLWNHLJ-UHFFFAOYSA-N
XLogP13.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.91
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-cyclohexa-1,5-dien-1-yl-1-ethenyl-3-phenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-3-amine
CID 142540910
9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 167297491
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
4-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 142481023
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160568541
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459

Frequently Asked Questions

What is the IUPAC name of N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 166906518) is N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(C3=CCCC=C3)c3ccccc3)cc21.
What is the InChIKey of N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is KNAPXAVRLWNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N/c1-51(2)47-24-14-12-22-43(47)45-32-30-42(35-50(45)51)53(40-28-26-37(27-29-40)36-16-6-3-7-17-36)41-31-33-49-46(34-41)44-23-13-15-25-48(44)52(49,38-18-8-4-9-19-38)39-20-10-5-11-21-39/h3-4,6-10,12-35H,5,11H2,1-2H3.
What are the key properties of N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 679.91 g/mol, XLogP of 13.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166906518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).