10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole

C47H31N5 — CID 123855257

IUPAC10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)c4)c3)n2)cc1
InChIInChI=1S/C47H31N5/c1-4-14-32(15-5-1)45-48-46(33-16-6-2-7-17-33)50-47(49-45)36-20-12-18-34(30-36)35-19-13-23-38(31-35)52-43-25-11-10-24-39(43)40-26-27-42-41(44(40)52)28-29-51(42)37-21-8-3-9-22-37/h1-31H
InChIKeyWIQWVKKPNZLHNH-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.58
Rot. Bonds6

About 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole

10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole (PubChem CID 123855257) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
PubChem CID123855257
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC Name10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)c4)c3)n2)cc1
InChIInChI=1S/C47H31N5/c1-4-14-32(15-5-1)45-48-46(33-16-6-2-7-17-33)50-47(49-45)36-20-12-18-34(30-36)35-19-13-23-38(31-35)52-43-25-11-10-24-39(43)40-26-27-42-41(44(40)52)28-29-51(42)37-21-8-3-9-22-37/h1-31H
InChIKeyWIQWVKKPNZLHNH-UHFFFAOYSA-N
XLogP11.58
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90130566
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183196
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18-diphenyl-9,18,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene
CID 90267290
3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90062504
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
CID 90267315
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
20-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223272
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267450
14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267426
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
1,2-dideuterio-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 118243217
14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-19-phenyl-10-thia-14,19-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267665

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole (CID 123855257) is 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)c4)c3)n2)cc1.
What is the InChIKey of 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole?
The InChIKey is WIQWVKKPNZLHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-4-14-32(15-5-1)45-48-46(33-16-6-2-7-17-33)50-47(49-45)36-20-12-18-34(30-36)35-19-13-23-38(31-35)52-43-25-11-10-24-39(43)40-26-27-42-41(44(40)52)28-29-51(42)37-21-8-3-9-22-37/h1-31H.
What are the key properties of 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole?
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole has a molecular weight of 665.80 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 123855257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).