9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine

C61H45N — CID 167297491

IUPAC9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cc(-c7ccccc7)ccc6-c6ccccc6)cc5)cc4)cc32)=CCC1
InChIInChI=1S/C61H45N/c1-6-18-44(19-7-1)49-36-40-55(47-20-8-2-9-21-47)58(42-49)48-32-30-45(31-33-48)46-34-37-53(38-35-46)62(52-26-14-5-15-27-52)54-39-41-57-56-28-16-17-29-59(56)61(60(57)43-54,50-22-10-3-11-23-50)51-24-12-4-13-25-51/h1-3,5-12,14-43H,4,13H2
InChIKeyGGPCVRPYTXYXPO-UHFFFAOYSA-N
MW792.04 g/mol
LogP16.42
Rot. Bonds9

About 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine

9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine (PubChem CID 167297491) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
PubChem CID167297491
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC Name9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cc(-c7ccccc7)ccc6-c6ccccc6)cc5)cc4)cc32)=CCC1
InChIInChI=1S/C61H45N/c1-6-18-44(19-7-1)49-36-40-55(47-20-8-2-9-21-47)58(42-49)48-32-30-45(31-33-48)46-34-37-53(38-35-46)62(52-26-14-5-15-27-52)54-39-41-57-56-28-16-17-29-59(56)61(60(57)43-54,50-22-10-3-11-23-50)51-24-12-4-13-25-51/h1-3,5-12,14-43H,4,13H2
InChIKeyGGPCVRPYTXYXPO-UHFFFAOYSA-N
XLogP16.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 142481023
N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166906518
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 156578662
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
9-(2-bromophenyl)-N-[9-(2-bromophenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122537273
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159111401
9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
CID 131993890
N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine (CID 167297491) is 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine is C1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cc(-c7ccccc7)ccc6-c6ccccc6)cc5)cc4)cc32)=CCC1.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine?
The InChIKey is GGPCVRPYTXYXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-6-18-44(19-7-1)49-36-40-55(47-20-8-2-9-21-47)58(42-49)48-32-30-45(31-33-48)46-34-37-53(38-35-46)62(52-26-14-5-15-27-52)54-39-41-57-56-28-16-17-29-59(56)61(60(57)43-54,50-22-10-3-11-23-50)51-24-12-4-13-25-51/h1-3,5-12,14-43H,4,13H2.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine?
9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine has a molecular weight of 792.04 g/mol, XLogP of 16.42, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine is sourced from PubChem (CID 167297491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).