22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C52H34N4 — CID 118685156

IUPAC22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6-c6c(n(-c7ccccc7)c7ccccc67)-c6ccccc65)c4)c23)cc1
InChIInChI=1S/C52H34N4/c1-3-16-35(17-4-1)53-33-32-44-45(53)31-30-40-39-22-7-11-26-46(39)56(51(40)44)38-21-15-20-37(34-38)54-47-27-12-8-23-41(47)50-42-24-9-13-28-48(42)55(36-18-5-2-6-19-36)52(50)43-25-10-14-29-49(43)54/h1-34H
InChIKeyRTZUKAWEAJSSIG-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.79
Rot. Bonds4

About 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 118685156) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

Compound Name22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
PubChem CID118685156
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6-c6c(n(-c7ccccc7)c7ccccc67)-c6ccccc65)c4)c23)cc1
InChIInChI=1S/C52H34N4/c1-3-16-35(17-4-1)53-33-32-44-45(53)31-30-40-39-22-7-11-26-46(39)56(51(40)44)38-21-15-20-37(34-38)54-47-27-12-8-23-41(47)50-42-24-9-13-28-48(42)55(36-18-5-2-6-19-36)52(50)43-25-10-14-29-49(43)54/h1-34H
InChIKeyRTZUKAWEAJSSIG-UHFFFAOYSA-N
XLogP13.79
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene with MolForge

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Related Compounds

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8-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
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Frequently Asked Questions

What is the IUPAC name of 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
The IUPAC name of 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 118685156) is 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.
What is the SMILES notation for 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
The canonical SMILES for 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6-c6c(n(-c7ccccc7)c7ccccc67)-c6ccccc65)c4)c23)cc1.
What is the InChIKey of 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
The InChIKey is RTZUKAWEAJSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-16-35(17-4-1)53-33-32-44-45(53)31-30-40-39-22-7-11-26-46(39)56(51(40)44)38-21-15-20-37(34-38)54-47-27-12-8-23-41(47)50-42-24-9-13-28-48(42)55(36-18-5-2-6-19-36)52(50)43-25-10-14-29-49(43)54/h1-34H.
What are the key properties of 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 714.87 g/mol, XLogP of 13.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 118685156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).