N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine

C45H37N — CID 134320783

IUPACN-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCC(c4ccccc4)C=C3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc21
InChIInChI=1S/C45H37N/c1-45(2)43-21-13-12-20-40(43)41-29-27-38(31-44(41)45)46(36-24-22-33(23-25-36)32-14-6-3-7-15-32)37-26-28-39(34-16-8-4-9-17-34)42(30-37)35-18-10-5-11-19-35/h3-22,24-31,33H,23H2,1-2H3
InChIKeyMJQSUFIOBSHXLC-UHFFFAOYSA-N
MW591.80 g/mol
LogP12.09
Rot. Bonds6

About N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine

N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine (PubChem CID 134320783) has the molecular formula C45H37N and a molecular weight of 591.80 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
PubChem CID134320783
Molecular FormulaC45H37N
Molecular Weight591.80 g/mol
Exact Mass591.29
IUPAC NameN-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCC(c4ccccc4)C=C3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc21
InChIInChI=1S/C45H37N/c1-45(2)43-21-13-12-20-40(43)41-29-27-38(31-44(41)45)46(36-24-22-33(23-25-36)32-14-6-3-7-15-32)37-26-28-39(34-16-8-4-9-17-34)42(30-37)35-18-10-5-11-19-35/h3-22,24-31,33H,23H2,1-2H3
InChIKeyMJQSUFIOBSHXLC-UHFFFAOYSA-N
XLogP12.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.80
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170181217
9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 123266293
N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]-2-amine
CID 123504509
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine (CID 134320783) is N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CCC(c4ccccc4)C=C3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc21.
What is the InChIKey of N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
The InChIKey is MJQSUFIOBSHXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N/c1-45(2)43-21-13-12-20-40(43)41-29-27-38(31-44(41)45)46(36-24-22-33(23-25-36)32-14-6-3-7-15-32)37-26-28-39(34-16-8-4-9-17-34)42(30-37)35-18-10-5-11-19-35/h3-22,24-31,33H,23H2,1-2H3.
What are the key properties of N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine has a molecular weight of 591.80 g/mol, XLogP of 12.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine is sourced from PubChem (CID 134320783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).