9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine

C41H31N — CID 139355218

IUPAC9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3c(Nc4ccc(-c5cccc6ccccc56)cc4)cccc32)C=C1
InChIInChI=1S/C41H31N/c1-3-15-31(16-4-1)41(32-17-5-2-6-18-32)37-22-10-9-20-36(37)40-38(41)23-12-24-39(40)42-33-27-25-30(26-28-33)35-21-11-14-29-13-7-8-19-34(29)35/h1-17,19-28,32,42H,18H2
InChIKeyUGSPQUTTYQAUJE-UHFFFAOYSA-N
MW537.71 g/mol
LogP10.70
Rot. Bonds5

About 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine

9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine (PubChem CID 139355218) has the molecular formula C41H31N and a molecular weight of 537.71 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine
PubChem CID139355218
Molecular FormulaC41H31N
Molecular Weight537.71 g/mol
Exact Mass537.25
IUPAC Name9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3c(Nc4ccc(-c5cccc6ccccc56)cc4)cccc32)C=C1
InChIInChI=1S/C41H31N/c1-3-15-31(16-4-1)41(32-17-5-2-6-18-32)37-22-10-9-20-36(37)40-38(41)23-12-24-39(40)42-33-27-25-30(26-28-33)35-21-11-14-29-13-7-8-19-34(29)35/h1-17,19-28,32,42H,18H2
InChIKeyUGSPQUTTYQAUJE-UHFFFAOYSA-N
XLogP10.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 510.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 172544729
N-[4-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 177114125
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
14-cyclohexa-2,4-dien-1-yl-9-(2,4-diphenyl-1,3-diazetidin-1-ium-1-yl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),4,6,11,15,17,19-octaene
CID 145064231
2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
CID 145292020
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 175774490
2-[3-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;9,9-diphenyl-2-(4-phenylphenyl)fluorene;2,4-diphenylpyridine
CID 160598158
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
CID 170289309
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
CID 177114163
N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 134359527

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine (CID 139355218) is 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine is C1=CCC(C2(c3ccccc3)c3ccccc3-c3c(Nc4ccc(-c5cccc6ccccc56)cc4)cccc32)C=C1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine?
The InChIKey is UGSPQUTTYQAUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N/c1-3-15-31(16-4-1)41(32-17-5-2-6-18-32)37-22-10-9-20-36(37)40-38(41)23-12-24-39(40)42-33-27-25-30(26-28-33)35-21-11-14-29-13-7-8-19-34(29)35/h1-17,19-28,32,42H,18H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine?
9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine has a molecular weight of 537.71 g/mol, XLogP of 10.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine is sourced from PubChem (CID 139355218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).