2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene

C42H28N4 — CID 142370273

IUPAC2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene
SMILESC1=c2c3c(nc4ccccc24)N(c2ccccc2)c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2C=3NC1
InChIInChI=1S/C42H28N4/c1-3-11-29(12-4-1)45-37-18-10-8-16-32(37)34-25-27(19-21-38(34)45)28-20-22-39-35(26-28)41-40-33(23-24-43-41)31-15-7-9-17-36(31)44-42(40)46(39)30-13-5-2-6-14-30/h1-23,25-26,43H,24H2
InChIKeyZPJXQSPVWNAUQB-UHFFFAOYSA-N
MW588.71 g/mol
LogP8.32
Rot. Bonds3

About 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene

2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene (PubChem CID 142370273) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene.

Molecular Properties

Compound Name2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene
PubChem CID142370273
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene
SMILESC1=c2c3c(nc4ccccc24)N(c2ccccc2)c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2C=3NC1
InChIInChI=1S/C42H28N4/c1-3-11-29(12-4-1)45-37-18-10-8-16-32(37)34-25-27(19-21-38(34)45)28-20-22-39-35(26-28)41-40-33(23-24-43-41)31-15-7-9-17-36(31)44-42(40)46(39)30-13-5-2-6-14-30/h1-23,25-26,43H,24H2
InChIKeyZPJXQSPVWNAUQB-UHFFFAOYSA-N
XLogP8.32
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene with MolForge

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Related Compounds

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8-phenyl-15-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,10,12-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
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3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
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3-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 121263635
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 142370322
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene?
The IUPAC name of 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene (CID 142370273) is 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene.
What is the SMILES notation for 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene?
The canonical SMILES for 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene is C1=c2c3c(nc4ccccc24)N(c2ccccc2)c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2C=3NC1.
What is the InChIKey of 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene?
The InChIKey is ZPJXQSPVWNAUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-3-11-29(12-4-1)45-37-18-10-8-16-32(37)34-25-27(19-21-38(34)45)28-20-22-39-35(26-28)41-40-33(23-24-43-41)31-15-7-9-17-36(31)44-42(40)46(39)30-13-5-2-6-14-30/h1-23,25-26,43H,24H2.
What are the key properties of 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene?
2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene has a molecular weight of 588.71 g/mol, XLogP of 8.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene is sourced from PubChem (CID 142370273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).