9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C57H45N — CID 170181217

IUPAC9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(C3=CCC(c4ccccc4)C=C3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H45N/c1-57(2)54-38-48(46-28-26-43(27-29-46)41-16-8-4-9-17-41)32-36-52(54)53-37-35-50(39-55(53)57)58(56-21-13-12-20-51(56)47-18-10-5-11-19-47)49-33-30-45(31-34-49)44-24-22-42(23-25-44)40-14-6-3-7-15-40/h3-26,28-39,43H,27H2,1-2H3
InChIKeyAUMXNECPAGETMN-UHFFFAOYSA-N
MW743.99 g/mol
LogP15.59
Rot. Bonds8

About 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 170181217) has the molecular formula C57H45N and a molecular weight of 743.99 g/mol. Its IUPAC name is 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID170181217
Molecular FormulaC57H45N
Molecular Weight743.99 g/mol
Exact Mass743.36
IUPAC Name9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(C3=CCC(c4ccccc4)C=C3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H45N/c1-57(2)54-38-48(46-28-26-43(27-29-46)41-16-8-4-9-17-41)32-36-52(54)53-37-35-50(39-55(53)57)58(56-21-13-12-20-51(56)47-18-10-5-11-19-47)49-33-30-45(31-34-49)44-24-22-42(23-25-44)40-14-6-3-7-15-40/h3-26,28-39,43H,27H2,1-2H3
InChIKeyAUMXNECPAGETMN-UHFFFAOYSA-N
XLogP15.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.99
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine
CID 121321577
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 134320783
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylfluoren-2-amine
CID 121391735
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422575
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321503
9,9-dimethyl-N,7-dinaphthalen-2-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321537

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 170181217) is 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(C3=CCC(c4ccccc4)C=C3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is AUMXNECPAGETMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N/c1-57(2)54-38-48(46-28-26-43(27-29-46)41-16-8-4-9-17-41)32-36-52(54)53-37-35-50(39-55(53)57)58(56-21-13-12-20-51(56)47-18-10-5-11-19-47)49-33-30-45(31-34-49)44-24-22-42(23-25-44)40-14-6-3-7-15-40/h3-26,28-39,43H,27H2,1-2H3.
What are the key properties of 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 743.99 g/mol, XLogP of 15.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170181217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).