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

C84H58N2 — CID 144907545

IUPAC9-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
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5-c5ccc6c7ccccc7n(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6c5)cc4)c4cccc5ccccc45)cc32)=CCC1
InChIInChI=1S/C84H58N2/c1-5-26-60(27-6-1)83(61-28-7-2-8-29-61)76-40-20-17-37-70(76)72-52-49-65(55-78(72)83)85(80-43-23-25-57-24-13-14-36-69(57)80)64-47-44-58(45-48-64)67-34-15-16-35-68(67)59-46-51-75-74-39-19-22-42-81(74)86(82(75)54-59)66-50-53-73-71-38-18-21-41-77(71)84(79(73)56-66,62-30-9-3-10-31-62)63-32-11-4-12-33-63/h1,3-7,9-56H,2,8H2
InChIKeyAGJZRBRIBBQWLR-UHFFFAOYSA-N
MW1095.40 g/mol
LogP21.69
Rot. Bonds10

About 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

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 (PubChem CID 144907545) has the molecular formula C84H58N2 and a molecular weight of 1095.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID144907545
Molecular FormulaC84H58N2
Molecular Weight1095.40 g/mol
Exact Mass1094.46
IUPAC Name9-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
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5-c5ccc6c7ccccc7n(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6c5)cc4)c4cccc5ccccc45)cc32)=CCC1
InChIInChI=1S/C84H58N2/c1-5-26-60(27-6-1)83(61-28-7-2-8-29-61)76-40-20-17-37-70(76)72-52-49-65(55-78(72)83)85(80-43-23-25-57-24-13-14-36-69(57)80)64-47-44-58(45-48-64)67-34-15-16-35-68(67)59-46-51-75-74-39-19-22-42-81(74)86(82(75)54-59)66-50-53-73-71-38-18-21-41-77(71)84(79(73)56-66,62-30-9-3-10-31-62)63-32-11-4-12-33-63/h1,3-7,9-56H,2,8H2
InChIKeyAGJZRBRIBBQWLR-UHFFFAOYSA-N
XLogP21.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.40
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]-N,N-bis(3-phenylphenyl)aniline;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161069792
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]naphthalen-1-amine;3-phenyl-N-(3-phenylphenyl)-N-[3-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 158858798
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 161145523
9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
CID 131993890
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062
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
2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline;2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(3-phenylphenyl)aniline;2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;N-[2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 161329368
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 146576508
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118505684

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5-c5ccc6c7ccccc7n(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6c5)cc4)c4cccc5ccccc45)cc32)=CCC1.
What is the InChIKey of 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?
The InChIKey is AGJZRBRIBBQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N2/c1-5-26-60(27-6-1)83(61-28-7-2-8-29-61)76-40-20-17-37-70(76)72-52-49-65(55-78(72)83)85(80-43-23-25-57-24-13-14-36-69(57)80)64-47-44-58(45-48-64)67-34-15-16-35-68(67)59-46-51-75-74-39-19-22-42-81(74)86(82(75)54-59)66-50-53-73-71-38-18-21-41-77(71)84(79(73)56-66,62-30-9-3-10-31-62)63-32-11-4-12-33-63/h1,3-7,9-56H,2,8H2.
What are the key properties of 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?
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 has a molecular weight of 1095.40 g/mol, XLogP of 21.69, 10 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-[4-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine is sourced from PubChem (CID 144907545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).