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

C40H36N2 — CID 143126318

IUPAC9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
SMILESCC.CC.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H24N2.2C2H6/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;2*1-2/h1-24H;2*1-2H3
InChIKeyNFBULLBHUIRGMP-UHFFFAOYSA-N
MW544.74 g/mol
LogP11.60
Rot. Bonds3

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

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane (PubChem CID 143126318) has the molecular formula C40H36N2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
PubChem CID143126318
Molecular FormulaC40H36N2
Molecular Weight544.74 g/mol
Exact Mass544.29
IUPAC Name9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
SMILESCC.CC.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H24N2.2C2H6/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;2*1-2/h1-24H;2*1-2H3
InChIKeyNFBULLBHUIRGMP-UHFFFAOYSA-N
XLogP11.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063537

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane?
The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane (CID 143126318) is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane.
What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane?
The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane is CC.CC.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane?
The InChIKey is NFBULLBHUIRGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2.2C2H6/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;2*1-2/h1-24H;2*1-2H3.
What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane?
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane has a molecular weight of 544.74 g/mol, XLogP of 11.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane is sourced from PubChem (CID 143126318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).