14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene

C47H30N4 — CID 177285265

IUPAC14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene
SMILESc1ccc(N2c3ccccc3-c3ccccc3-c3cccc4c5cc(-n6c7ccccc7c7cccnc76)ccc5n(c34)-c3ccccc32)cc1
InChIInChI=1S/C47H30N4/c1-2-14-31(15-3-1)49-41-23-8-6-18-35(41)33-16-4-5-17-34(33)37-20-12-21-38-40-30-32(27-28-43(40)51(46(37)38)45-26-11-10-25-44(45)49)50-42-24-9-7-19-36(42)39-22-13-29-48-47(39)50/h1-30H
InChIKeyPKNXAHPKHKYPDU-UHFFFAOYSA-N
MW650.79 g/mol
LogP12.39
Rot. Bonds2

About 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene

14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene (PubChem CID 177285265) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene.

Molecular Properties

Compound Name14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene
PubChem CID177285265
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene
SMILESc1ccc(N2c3ccccc3-c3ccccc3-c3cccc4c5cc(-n6c7ccccc7c7cccnc76)ccc5n(c34)-c3ccccc32)cc1
InChIInChI=1S/C47H30N4/c1-2-14-31(15-3-1)49-41-23-8-6-18-35(41)33-16-4-5-17-34(33)37-20-12-21-38-40-30-32(27-28-43(40)51(46(37)38)45-26-11-10-25-44(45)49)50-42-24-9-7-19-36(42)39-22-13-29-48-47(39)50/h1-30H
InChIKeyPKNXAHPKHKYPDU-UHFFFAOYSA-N
XLogP12.39
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene with MolForge

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Related Compounds

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6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
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8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole
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14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
CID 118216147
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10-pyrido[2,3-b]indol-9-yl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene?
The IUPAC name of 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene (CID 177285265) is 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene.
What is the SMILES notation for 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene?
The canonical SMILES for 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene is c1ccc(N2c3ccccc3-c3ccccc3-c3cccc4c5cc(-n6c7ccccc7c7cccnc76)ccc5n(c34)-c3ccccc32)cc1.
What is the InChIKey of 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene?
The InChIKey is PKNXAHPKHKYPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-2-14-31(15-3-1)49-41-23-8-6-18-35(41)33-16-4-5-17-34(33)37-20-12-21-38-40-30-32(27-28-43(40)51(46(37)38)45-26-11-10-25-44(45)49)50-42-24-9-7-19-36(42)39-22-13-29-48-47(39)50/h1-30H.
What are the key properties of 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene?
14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene has a molecular weight of 650.79 g/mol, XLogP of 12.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene is sourced from PubChem (CID 177285265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).