3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole

C37H26N2 — CID 170365233

IUPAC3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
SMILESCc1ccc2c(c1-c1ccccc1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C37H26N2/c1-25-20-22-35-37(36(25)26-12-4-2-5-13-26)30-17-9-11-19-33(30)39(35)28-21-23-34-31(24-28)29-16-8-10-18-32(29)38(34)27-14-6-3-7-15-27/h2-24H,1H3
InChIKeyKFACZCXUKMQXTO-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.86
Rot. Bonds3

About 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole

3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 170365233) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
PubChem CID170365233
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
SMILESCc1ccc2c(c1-c1ccccc1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C37H26N2/c1-25-20-22-35-37(36(25)26-12-4-2-5-13-26)30-17-9-11-19-33(30)39(35)28-21-23-34-31(24-28)29-16-8-10-18-32(29)38(34)27-14-6-3-7-15-27/h2-24H,1H3
InChIKeyKFACZCXUKMQXTO-UHFFFAOYSA-N
XLogP9.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-phenyl-14-(9-phenylcarbazol-3-yl)-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;prop-1-ene
CID 145334335
9-(4-phenylphenyl)-14-[3-[4-[3-[4-[3-[14-(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-nonaen-9-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-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
CID 139480563
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 146368712
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-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
CID 134168669
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-(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;9-[3-(4-carbazol-9-ylphenyl)phenyl]-14-(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;9-[4-(3-carbazol-9-ylphenyl)phenyl]-14-(3-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
CID 158065664
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole (CID 170365233) is 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole is Cc1ccc2c(c1-c1ccccc1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is KFACZCXUKMQXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-25-20-22-35-37(36(25)26-12-4-2-5-13-26)30-17-9-11-19-33(30)39(35)28-21-23-34-31(24-28)29-16-8-10-18-32(29)38(34)27-14-6-3-7-15-27/h2-24H,1H3.
What are the key properties of 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 498.63 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 170365233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).