9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine

C55H40N2 — CID 131993890

IUPAC9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc32)=CCC1
InChIInChI=1S/C55H40N2/c1-5-17-41(18-6-1)55(42-19-7-2-8-20-42)51-27-15-13-25-47(51)50-38-46(34-36-52(50)55)56(43-21-9-3-10-22-43)45-32-29-39(30-33-45)40-31-35-49-48-26-14-16-28-53(48)57(54(49)37-40)44-23-11-4-12-24-44/h1,3-7,9-38H,2,8H2
InChIKeyVMTPTFLVJDGDSS-UHFFFAOYSA-N
MW728.94 g/mol
LogP14.51
Rot. Bonds7

About 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine

9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine (PubChem CID 131993890) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
PubChem CID131993890
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc32)=CCC1
InChIInChI=1S/C55H40N2/c1-5-17-41(18-6-1)55(42-19-7-2-8-20-42)51-27-15-13-25-47(51)50-38-46(34-36-52(50)55)56(43-21-9-3-10-22-43)45-32-29-39(30-33-45)40-31-35-49-48-26-14-16-28-53(48)57(54(49)37-40)44-23-11-4-12-24-44/h1,3-7,9-38H,2,8H2
InChIKeyVMTPTFLVJDGDSS-UHFFFAOYSA-N
XLogP14.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121423893
N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167214797
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
9-cyclohexa-1,5-dien-1-yl-N-[4-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 144907545
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
N,9,9-triphenyl-N-[2-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505787
9-phenyl-N-(4-phenylphenyl)-N-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]carbazol-2-amine
CID 146367853

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine (CID 131993890) is 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine is C1=CC(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc32)=CCC1.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine?
The InChIKey is VMTPTFLVJDGDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-5-17-41(18-6-1)55(42-19-7-2-8-20-42)51-27-15-13-25-47(51)50-38-46(34-36-52(50)55)56(43-21-9-3-10-22-43)45-32-29-39(30-33-45)40-31-35-49-48-26-14-16-28-53(48)57(54(49)37-40)44-23-11-4-12-24-44/h1,3-7,9-38H,2,8H2.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine?
9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine has a molecular weight of 728.94 g/mol, XLogP of 14.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 131993890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).