11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene

C48H33N4+ — CID 123598848

IUPAC11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene
SMILESC1=CC2=C3CC4=C(C=C3N(c3ccc(-n5c6ccccc6c6ccccc65)cc3)C2C=C1)C1=CC=CC2=[N+](c3ccccc3)c3ccccc3N4C12
InChIInChI=1S/C48H33N4/c1-2-13-31(14-3-1)51-43-22-10-11-23-44(43)52-47-29-38-36-17-6-9-21-42(36)50(46(38)30-39(47)37-18-12-24-45(51)48(37)52)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49/h1-28,30,42,48H,29H2/q+1
InChIKeyZGNNVNQZBFNHCA-UHFFFAOYSA-N
MW665.82 g/mol
LogP10.61
Rot. Bonds3

About 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene

11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene (PubChem CID 123598848) has the molecular formula C48H33N4+ and a molecular weight of 665.82 g/mol. Its IUPAC name is 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene.

Molecular Properties

Compound Name11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene
PubChem CID123598848
Molecular FormulaC48H33N4+
Molecular Weight665.82 g/mol
Exact Mass665.27
IUPAC Name11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene
SMILESC1=CC2=C3CC4=C(C=C3N(c3ccc(-n5c6ccccc6c6ccccc65)cc3)C2C=C1)C1=CC=CC2=[N+](c3ccccc3)c3ccccc3N4C12
InChIInChI=1S/C48H33N4/c1-2-13-31(14-3-1)51-43-22-10-11-23-44(43)52-47-29-38-36-17-6-9-21-42(36)50(46(38)30-39(47)37-18-12-24-45(51)48(37)52)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49/h1-28,30,42,48H,29H2/q+1
InChIKeyZGNNVNQZBFNHCA-UHFFFAOYSA-N
XLogP10.61
TPSA14.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.82
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene with MolForge

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Related Compounds

20-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene
CID 123355268
20-(9-phenylcarbazol-3-yl)-11-thia-1-aza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene
CID 123251991
20-(4,6-diphenylpyrimidin-2-yl)-11-thia-1-aza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene
CID 123548729
11-phenyl-22-(9-phenylcarbazol-3-yl)-11,15-diaza-22-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(26),2(14),3,5,7,9,12,16,18,20,22,24-dodecaene
CID 123834691
20-(4-carbazol-9-ylphenyl)-4-phenyl-1,4-diaza-20-azoniaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,20,22,24-dodecaene
CID 123152266
4-dibenzothiophen-2-yl-20-phenyl-1,4-diaza-20-azoniaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25-dodecaene
CID 123444324
20-(9-phenylcarbazol-3-yl)-4-thia-1-aza-20-azoniaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25-dodecaene
CID 123680558
4-dibenzofuran-2-yl-20-phenyl-1,4-diaza-20-azoniaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25-dodecaene
CID 123743119
22-phenyl-11-(9-phenylcarbazol-3-yl)-11,15-diaza-22-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaene
CID 123141455
13-(4-phenylphenyl)-5-[13-(4-phenylphenyl)-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12,14,16,18-nonaen-5-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene
CID 123209331
20-(4-carbazol-9-ylphenyl)-10-oxa-1-aza-20-azoniaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,20,22,24-dodecaene
CID 123922708
11-phenyl-20-(4-pyridin-3-ylphenyl)-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,20,22,24-dodecaene
CID 123258787

Frequently Asked Questions

What is the IUPAC name of 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene?
The IUPAC name of 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene (CID 123598848) is 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene.
What is the SMILES notation for 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene?
The canonical SMILES for 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene is C1=CC2=C3CC4=C(C=C3N(c3ccc(-n5c6ccccc6c6ccccc65)cc3)C2C=C1)C1=CC=CC2=[N+](c3ccccc3)c3ccccc3N4C12.
What is the InChIKey of 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene?
The InChIKey is ZGNNVNQZBFNHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N4/c1-2-13-31(14-3-1)51-43-22-10-11-23-44(43)52-47-29-38-36-17-6-9-21-42(36)50(46(38)30-39(47)37-18-12-24-45(51)48(37)52)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49/h1-28,30,42,48H,29H2/q+1.
What are the key properties of 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene?
11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene has a molecular weight of 665.82 g/mol, XLogP of 10.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-carbazol-9-ylphenyl)-20-phenyl-1,11-diaza-20-azoniaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),4,6,8,12,15,17,19,21,23,25-undecaene is sourced from PubChem (CID 123598848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).