14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene

C46H28N4 — CID 165089988

IUPAC14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene
SMILESc1ccc(-n2c3ccc(-c4cc5c6c(c4)c4ccc7ccccc7c4n6C4Nc6ccccc6N=C54)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C46H28N4/c1-2-13-32(14-3-1)49-41-21-19-30(23-35(41)36-22-28-11-4-5-12-29(28)26-42(36)49)31-24-37-34-20-18-27-10-6-7-15-33(27)44(34)50-45(37)38(25-31)43-46(50)48-40-17-9-8-16-39(40)47-43/h1-26,46,48H
InChIKeyWNOHFNPXBUKJRN-UHFFFAOYSA-N
MW636.76 g/mol
LogP11.92
Rot. Bonds2

About 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene

14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene (PubChem CID 165089988) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene
PubChem CID165089988
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene
SMILESc1ccc(-n2c3ccc(-c4cc5c6c(c4)c4ccc7ccccc7c4n6C4Nc6ccccc6N=C54)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C46H28N4/c1-2-13-32(14-3-1)49-41-21-19-30(23-35(41)36-22-28-11-4-5-12-29(28)26-42(36)49)31-24-37-34-20-18-27-10-6-7-15-33(27)44(34)50-45(37)38(25-31)43-46(50)48-40-17-9-8-16-39(40)47-43/h1-26,46,48H
InChIKeyWNOHFNPXBUKJRN-UHFFFAOYSA-N
XLogP11.92
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 511.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene with MolForge

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Related Compounds

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20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
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Frequently Asked Questions

What is the IUPAC name of 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene?
The IUPAC name of 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene (CID 165089988) is 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene.
What is the SMILES notation for 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene?
The canonical SMILES for 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene is c1ccc(-n2c3ccc(-c4cc5c6c(c4)c4ccc7ccccc7c4n6C4Nc6ccccc6N=C54)cc3c3cc4ccccc4cc32)cc1.
What is the InChIKey of 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene?
The InChIKey is WNOHFNPXBUKJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-2-13-32(14-3-1)49-41-21-19-30(23-35(41)36-22-28-11-4-5-12-29(28)26-42(36)49)31-24-37-34-20-18-27-10-6-7-15-33(27)44(34)50-45(37)38(25-31)43-46(50)48-40-17-9-8-16-39(40)47-43/h1-26,46,48H.
What are the key properties of 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene?
14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene has a molecular weight of 636.76 g/mol, XLogP of 11.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 165089988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).