3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole

C54H38N2 — CID 168762802

IUPAC3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
SMILESC1=CCCC(c2cc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3-c3ccccc3)ccc2-c2ccccc2)=C1
InChIInChI=1S/C54H38N2/c1-4-16-37(17-5-1)43-31-28-40(34-48(43)39-20-8-3-9-21-39)49-35-41(29-32-44(49)38-18-6-2-7-19-38)56-53-27-15-12-24-47(53)50-36-42(30-33-54(50)56)55-51-25-13-10-22-45(51)46-23-11-14-26-52(46)55/h1-8,10-20,22-36H,9,21H2
InChIKeySEOJDULFNZCUCF-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.62
Rot. Bonds6

About 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole

3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole (PubChem CID 168762802) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
PubChem CID168762802
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
SMILESC1=CCCC(c2cc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3-c3ccccc3)ccc2-c2ccccc2)=C1
InChIInChI=1S/C54H38N2/c1-4-16-37(17-5-1)43-31-28-40(34-48(43)39-20-8-3-9-21-39)49-35-41(29-32-44(49)38-18-6-2-7-19-38)56-53-27-15-12-24-47(53)50-36-42(30-33-54(50)56)55-51-25-13-10-22-45(51)46-23-11-14-26-52(46)55/h1-8,10-20,22-36H,9,21H2
InChIKeySEOJDULFNZCUCF-UHFFFAOYSA-N
XLogP14.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole
CID 170375447
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
9-[3,4-bis(3-phenylphenyl)phenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159370962
11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
CID 130184198
3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236515
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 154934008
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole (CID 168762802) is 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole is C1=CCCC(c2cc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3-c3ccccc3)ccc2-c2ccccc2)=C1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole?
The InChIKey is SEOJDULFNZCUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-4-16-37(17-5-1)43-31-28-40(34-48(43)39-20-8-3-9-21-39)49-35-41(29-32-44(49)38-18-6-2-7-19-38)56-53-27-15-12-24-47(53)50-36-42(30-33-54(50)56)55-51-25-13-10-22-45(51)46-23-11-14-26-52(46)55/h1-8,10-20,22-36H,9,21H2.
What are the key properties of 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole?
3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole has a molecular weight of 714.91 g/mol, XLogP of 14.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole is sourced from PubChem (CID 168762802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).