9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene

C42H27N3 — CID 90223722

IUPAC9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc(-n4ccc5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c54)ccc32)cc1
InChIInChI=1S/C42H27N3/c1-3-11-29(12-4-1)44-37-17-9-7-15-32(37)36-27-31(20-23-39(36)44)43-26-25-28-19-21-33-34(42(28)43)22-24-40-41(33)35-16-8-10-18-38(35)45(40)30-13-5-2-6-14-30/h1-27H
InChIKeyZRUSMITWCLZDQR-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.98
Rot. Bonds3

About 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene

9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene (PubChem CID 90223722) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene.

Molecular Properties

Compound Name9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
PubChem CID90223722
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc(-n4ccc5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c54)ccc32)cc1
InChIInChI=1S/C42H27N3/c1-3-11-29(12-4-1)44-37-17-9-7-15-32(37)36-27-31(20-23-39(36)44)43-26-25-28-19-21-33-34(42(28)43)22-24-40-41(33)35-16-8-10-18-38(35)45(40)30-13-5-2-6-14-30/h1-27H
InChIKeyZRUSMITWCLZDQR-UHFFFAOYSA-N
XLogP10.98
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The IUPAC name of 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene (CID 90223722) is 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene.
What is the SMILES notation for 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The canonical SMILES for 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene is c1ccc(-n2c3ccccc3c3cc(-n4ccc5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c54)ccc32)cc1.
What is the InChIKey of 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The InChIKey is ZRUSMITWCLZDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-3-11-29(12-4-1)44-37-17-9-7-15-32(37)36-27-31(20-23-39(36)44)43-26-25-28-19-21-33-34(42(28)43)22-24-40-41(33)35-16-8-10-18-38(35)45(40)30-13-5-2-6-14-30/h1-27H.
What are the key properties of 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene has a molecular weight of 573.70 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene is sourced from PubChem (CID 90223722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).