9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine

C45H38N2 — CID 137469000

IUPAC9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(C3=CCCC(c4cccc(N(c5ccccc5)c5ccccc5)c4)=C3)c3ccccc3)cccc21
InChIInChI=1S/C45H38N2/c1-45(2)41-28-13-12-27-40(41)44-42(45)29-16-30-43(44)47(37-23-10-5-11-24-37)39-26-15-18-34(32-39)33-17-14-25-38(31-33)46(35-19-6-3-7-20-35)36-21-8-4-9-22-36/h3-14,16-17,19-32H,15,18H2,1-2H3
InChIKeyXXICYINAKUCQMG-UHFFFAOYSA-N
MW606.81 g/mol
LogP12.36
Rot. Bonds7

About 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine

9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine (PubChem CID 137469000) has the molecular formula C45H38N2 and a molecular weight of 606.81 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine
PubChem CID137469000
Molecular FormulaC45H38N2
Molecular Weight606.81 g/mol
Exact Mass606.30
IUPAC Name9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(C3=CCCC(c4cccc(N(c5ccccc5)c5ccccc5)c4)=C3)c3ccccc3)cccc21
InChIInChI=1S/C45H38N2/c1-45(2)41-28-13-12-27-40(41)44-42(45)29-16-30-43(44)47(37-23-10-5-11-24-37)39-26-15-18-34(32-39)33-17-14-25-38(31-33)46(35-19-6-3-7-20-35)36-21-8-4-9-22-36/h3-14,16-17,19-32H,15,18H2,1-2H3
InChIKeyXXICYINAKUCQMG-UHFFFAOYSA-N
XLogP12.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.81
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789021
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019857
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168788466
N-[3-(3-fluoranthen-8-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 139499112
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-(3,4-dimethylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 142515720
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020071
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158283164
N-[4-[3-[4-(N-(9,9-dimethylfluoren-1-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine;N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-1-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-3-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-4-amine
CID 160533887

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine (CID 137469000) is 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(C3=CCCC(c4cccc(N(c5ccccc5)c5ccccc5)c4)=C3)c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine?
The InChIKey is XXICYINAKUCQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N2/c1-45(2)41-28-13-12-27-40(41)44-42(45)29-16-30-43(44)47(37-23-10-5-11-24-37)39-26-15-18-34(32-39)33-17-14-25-38(31-33)46(35-19-6-3-7-20-35)36-21-8-4-9-22-36/h3-14,16-17,19-32H,15,18H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine?
9,9-dimethyl-N-phenyl-N-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine has a molecular weight of 606.81 g/mol, XLogP of 12.36, 7 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-[5-[3-(N-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]fluoren-4-amine is sourced from PubChem (CID 137469000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).