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

C48H31N4+ — CID 123152266

IUPAC20-(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
SMILESC1=CC2=[N+](c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c5ccc6c7ccccc7n(-c7ccccc7)c6c5n(c34)C2C=C1
InChIInChI=1S/C48H31N4/c1-2-13-31(14-3-1)51-42-21-9-6-17-36(42)38-29-30-39-37-18-12-24-45-46(37)52(48(39)47(38)51)44-23-11-10-22-43(44)50(45)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49/h1-30,44H/q+1
InChIKeyNSRNTSXIIPVTNI-UHFFFAOYSA-N
MW663.80 g/mol
LogP11.95
Rot. Bonds3

About 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

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 (PubChem CID 123152266) has the molecular formula C48H31N4+ and a molecular weight of 663.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name20-(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
PubChem CID123152266
Molecular FormulaC48H31N4+
Molecular Weight663.80 g/mol
Exact Mass663.25
IUPAC Name20-(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
SMILESC1=CC2=[N+](c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c5ccc6c7ccccc7n(-c7ccccc7)c6c5n(c34)C2C=C1
InChIInChI=1S/C48H31N4/c1-2-13-31(14-3-1)51-42-21-9-6-17-36(42)38-29-30-39-37-18-12-24-45-46(37)52(48(39)47(38)51)44-23-11-10-22-43(44)50(45)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49/h1-30,44H/q+1
InChIKeyNSRNTSXIIPVTNI-UHFFFAOYSA-N
XLogP11.95
TPSA17.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.80
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
4-(9,9-dimethylfluoren-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(27),16,18,20,22,24-dodecaene
CID 123239000
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
11-(9,9-dimethylfluoren-2-yl)-22-phenyl-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 123512260
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
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
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CID 118501913
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2=[N+](c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c5ccc6c7ccccc7n(-c7ccccc7)c6c5n(c34)C2C=C1.
What is the InChIKey of 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?
The InChIKey is NSRNTSXIIPVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N4/c1-2-13-31(14-3-1)51-42-21-9-6-17-36(42)38-29-30-39-37-18-12-24-45-46(37)52(48(39)47(38)51)44-23-11-10-22-43(44)50(45)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49/h1-30,44H/q+1.
What are the key properties of 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?
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 has a molecular weight of 663.80 g/mol, XLogP of 11.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123152266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).