9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole

C36H26N2 — CID 118526940

IUPAC9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole
SMILESC1=CC(c2ccccc2)=CC(n2c3ccccc3c3ccccc32)(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C36H26N2/c1-2-13-26(14-3-1)27-15-12-24-36(25-27,37-32-20-8-4-16-28(32)29-17-5-9-21-33(29)37)38-34-22-10-6-18-30(34)31-19-7-11-23-35(31)38/h1-23,25H,24H2
InChIKeyPLARNASIAHDXKF-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.15
Rot. Bonds3

About 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole

9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole (PubChem CID 118526940) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole.

Molecular Properties

Compound Name9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole
PubChem CID118526940
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole
SMILESC1=CC(c2ccccc2)=CC(n2c3ccccc3c3ccccc32)(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C36H26N2/c1-2-13-26(14-3-1)27-15-12-24-36(25-27,37-32-20-8-4-16-28(32)29-17-5-9-21-33(29)37)38-34-22-10-6-18-30(34)31-19-7-11-23-35(31)38/h1-23,25H,24H2
InChIKeyPLARNASIAHDXKF-UHFFFAOYSA-N
XLogP9.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-(1-methyl-3-phenylcyclohexa-2,4-dien-1-yl)-21-naphthalen-2-yl-15-thia-11,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene
CID 163540774
9-[3-[2-[4-[1-methyl-3-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 126627866
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole
CID 175264939
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187
4-[4-methyl-4-(4-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N,N-diphenylaniline
CID 166826430
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 175013604
(1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 170986585
9-[3-carbazol-9-yl-5-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]carbazole
CID 170151461
CID 172735714
CID 172735714

Frequently Asked Questions

What is the IUPAC name of 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole?
The IUPAC name of 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole (CID 118526940) is 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole.
What is the SMILES notation for 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole?
The canonical SMILES for 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole is C1=CC(c2ccccc2)=CC(n2c3ccccc3c3ccccc32)(n2c3ccccc3c3ccccc32)C1.
What is the InChIKey of 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole?
The InChIKey is PLARNASIAHDXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-2-13-26(14-3-1)27-15-12-24-36(25-27,37-32-20-8-4-16-28(32)29-17-5-9-21-33(29)37)38-34-22-10-6-18-30(34)31-19-7-11-23-35(31)38/h1-23,25H,24H2.
What are the key properties of 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole?
9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole has a molecular weight of 486.62 g/mol, XLogP of 9.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole is sourced from PubChem (CID 118526940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).