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

C67H50N2 — CID 163427849

IUPACN-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
SMILESC1=CCC(C2C=CC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)=CC2)C=C1
InChIInChI=1S/C67H50N2/c1-5-17-47(18-6-1)49-29-36-55(37-30-49)68(58-42-43-60-59-25-13-15-27-63(59)67(64(60)46-58,53-21-9-3-10-22-53)54-23-11-4-12-24-54)56-38-33-51(34-39-56)52-35-44-66-62(45-52)61-26-14-16-28-65(61)69(66)57-40-31-50(32-41-57)48-19-7-2-8-20-48/h1-17,19-29,31-47,49H,18,30H2
InChIKeyAOBCAYUCGWVEKR-UHFFFAOYSA-N
MW883.15 g/mol
LogP17.21
Rot. Bonds9

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

N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine (PubChem CID 163427849) has the molecular formula C67H50N2 and a molecular weight of 883.15 g/mol. Its IUPAC name is N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
PubChem CID163427849
Molecular FormulaC67H50N2
Molecular Weight883.15 g/mol
Exact Mass882.40
IUPAC NameN-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
SMILESC1=CCC(C2C=CC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)=CC2)C=C1
InChIInChI=1S/C67H50N2/c1-5-17-47(18-6-1)49-29-36-55(37-30-49)68(58-42-43-60-59-25-13-15-27-63(59)67(64(60)46-58,53-21-9-3-10-22-53)54-23-11-4-12-24-54)56-38-33-51(34-39-56)52-35-44-66-62(45-52)61-26-14-16-28-65(61)69(66)57-40-31-50(32-41-57)48-19-7-2-8-20-48/h1-17,19-29,31-47,49H,18,30H2
InChIKeyAOBCAYUCGWVEKR-UHFFFAOYSA-N
XLogP17.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.15
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-(3-methylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 145232530
N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170099431
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 71175459
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158043752
N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 88951484
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
N,9,9-triphenyl-N-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 118640942
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine?
The IUPAC name of N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine (CID 163427849) is N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine is C1=CCC(C2C=CC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)=CC2)C=C1.
What is the InChIKey of N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine?
The InChIKey is AOBCAYUCGWVEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50N2/c1-5-17-47(18-6-1)49-29-36-55(37-30-49)68(58-42-43-60-59-25-13-15-27-63(59)67(64(60)46-58,53-21-9-3-10-22-53)54-23-11-4-12-24-54)56-38-33-51(34-39-56)52-35-44-66-62(45-52)61-26-14-16-28-65(61)69(66)57-40-31-50(32-41-57)48-19-7-2-8-20-48/h1-17,19-29,31-47,49H,18,30H2.
What are the key properties of N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine?
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine has a molecular weight of 883.15 g/mol, XLogP of 17.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 163427849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).