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

C41H27N5 — CID 90130563

IUPAC6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)c3)n2)cc1
InChIInChI=1S/C41H27N5/c1-4-13-28(14-5-1)39-42-40(29-15-6-2-7-16-29)44-41(43-39)30-17-12-20-32(27-30)46-36-22-11-10-21-33(36)38-34-25-26-45(31-18-8-3-9-19-31)35(34)23-24-37(38)46/h1-27H
InChIKeyJVLILPDRCXKBRP-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.91
Rot. Bonds5

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

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole (PubChem CID 90130563) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
PubChem CID90130563
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)c3)n2)cc1
InChIInChI=1S/C41H27N5/c1-4-13-28(14-5-1)39-42-40(29-15-6-2-7-16-29)44-41(43-39)30-17-12-20-32(27-30)46-36-22-11-10-21-33(36)38-34-25-26-45(31-18-8-3-9-19-31)35(34)23-24-37(38)46/h1-27H
InChIKeyJVLILPDRCXKBRP-UHFFFAOYSA-N
XLogP9.91
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,4-diphenylpyrrolo[2,3-b]carbazole
CID 163664965
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122598828
3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
6-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 129303573
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 156554565
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169037238
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
6-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-3-phenylpyrrolo[2,3-c]carbazole;6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 160506334
6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 129303379
6-phenyl-3-(2-phenylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
CID 123906057

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
The IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole (CID 90130563) is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole.
What is the SMILES notation for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
The canonical SMILES for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)c3)n2)cc1.
What is the InChIKey of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
The InChIKey is JVLILPDRCXKBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c1-4-13-28(14-5-1)39-42-40(29-15-6-2-7-16-29)44-41(43-39)30-17-12-20-32(27-30)46-36-22-11-10-21-33(36)38-34-25-26-45(31-18-8-3-9-19-31)35(34)23-24-37(38)46/h1-27H.
What are the key properties of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole has a molecular weight of 589.70 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole is sourced from PubChem (CID 90130563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).