9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane

C46H46N2 — CID 144612449

IUPAC9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane
SMILESCC.CC.c1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCCCC2)cc1
InChIInChI=1S/C42H34N2.2C2H6/c1-10-28-42(29-11-1,30-20-24-32(25-21-30)43-38-16-6-2-12-34(38)35-13-3-7-17-39(35)43)31-22-26-33(27-23-31)44-40-18-8-4-14-36(40)37-15-5-9-19-41(37)44;2*1-2/h2-9,12-27H,1,10-11,28-29H2;2*1-2H3
InChIKeyWJCDEGVUQFHCGV-UHFFFAOYSA-N
MW626.89 g/mol
LogP13.18
Rot. Bonds4

About 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane

9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane (PubChem CID 144612449) has the molecular formula C46H46N2 and a molecular weight of 626.89 g/mol. Its IUPAC name is 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane.

Molecular Properties

Compound Name9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane
PubChem CID144612449
Molecular FormulaC46H46N2
Molecular Weight626.89 g/mol
Exact Mass626.37
IUPAC Name9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane
SMILESCC.CC.c1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCCCC2)cc1
InChIInChI=1S/C42H34N2.2C2H6/c1-10-28-42(29-11-1,30-20-24-32(25-21-30)43-38-16-6-2-12-34(38)35-13-3-7-17-39(35)43)31-22-26-33(27-23-31)44-40-18-8-4-14-36(40)37-15-5-9-19-41(37)44;2*1-2/h2-9,12-27H,1,10-11,28-29H2;2*1-2H3
InChIKeyWJCDEGVUQFHCGV-UHFFFAOYSA-N
XLogP13.18
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.89
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163511732
9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 163478343
N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163606213
9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 102429669
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane?
The IUPAC name of 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane (CID 144612449) is 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane.
What is the SMILES notation for 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane?
The canonical SMILES for 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane is CC.CC.c1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCCCC2)cc1.
What is the InChIKey of 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane?
The InChIKey is WJCDEGVUQFHCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2.2C2H6/c1-10-28-42(29-11-1,30-20-24-32(25-21-30)43-38-16-6-2-12-34(38)35-13-3-7-17-39(35)43)31-22-26-33(27-23-31)44-40-18-8-4-14-36(40)37-15-5-9-19-41(37)44;2*1-2/h2-9,12-27H,1,10-11,28-29H2;2*1-2H3.
What are the key properties of 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane?
9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane has a molecular weight of 626.89 g/mol, XLogP of 13.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane is sourced from PubChem (CID 144612449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).