11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C54H36N4 — CID 171467608

IUPAC11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESc1ccc(-c2ccc3c(c2)N2c4cc(-c5ccccc5)ccc4N(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(c42)N3c2ccccc2)cc1
InChIInChI=1S/C54H36N4/c1-5-17-37(18-6-1)39-29-31-48-50(33-39)58-51-34-40(38-19-7-2-8-20-38)30-32-49(51)56(42-23-11-4-12-24-42)53-36-43(35-52(54(53)58)55(48)41-21-9-3-10-22-41)57-46-27-15-13-25-44(46)45-26-14-16-28-47(45)57/h1-36H
InChIKeyOFSLWXTWXTZQQK-UHFFFAOYSA-N
MW740.91 g/mol
LogP15.15
Rot. Bonds5

About 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 171467608) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID171467608
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESc1ccc(-c2ccc3c(c2)N2c4cc(-c5ccccc5)ccc4N(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(c42)N3c2ccccc2)cc1
InChIInChI=1S/C54H36N4/c1-5-17-37(18-6-1)39-29-31-48-50(33-39)58-51-34-40(38-19-7-2-8-20-38)30-32-49(51)56(42-23-11-4-12-24-42)53-36-43(35-52(54(53)58)55(48)41-21-9-3-10-22-41)57-46-27-15-13-25-44(46)45-26-14-16-28-47(45)57/h1-36H
InChIKeyOFSLWXTWXTZQQK-UHFFFAOYSA-N
XLogP15.15
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

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9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
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9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
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CID 161163873
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CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
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3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 171467608) is 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is c1ccc(-c2ccc3c(c2)N2c4cc(-c5ccccc5)ccc4N(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(c42)N3c2ccccc2)cc1.
What is the InChIKey of 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is OFSLWXTWXTZQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-5-17-37(18-6-1)39-29-31-48-50(33-39)58-51-34-40(38-19-7-2-8-20-38)30-32-49(51)56(42-23-11-4-12-24-42)53-36-43(35-52(54(53)58)55(48)41-21-9-3-10-22-41)57-46-27-15-13-25-44(46)45-26-14-16-28-47(45)57/h1-36H.
What are the key properties of 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 740.91 g/mol, XLogP of 15.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-carbazol-9-yl-4,8,14,18-tetraphenyl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 171467608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).