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

C53H35N5 — CID 90130566

IUPAC3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)c2)cc1
InChIInChI=1S/C53H35N5/c1-5-16-36(17-6-1)41-32-42(37-18-7-2-8-19-37)35-44(34-41)57-31-30-47-48(57)29-28-46-45-26-13-14-27-49(45)58(50(46)47)43-25-15-24-40(33-43)53-55-51(38-20-9-3-10-21-38)54-52(56-53)39-22-11-4-12-23-39/h1-35H
InChIKeyZTNCWXBOWKXAOO-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.25
Rot. Bonds7

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

3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole (PubChem CID 90130566) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
PubChem CID90130566
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)c2)cc1
InChIInChI=1S/C53H35N5/c1-5-16-36(17-6-1)41-32-42(37-18-7-2-8-19-37)35-44(34-41)57-31-30-47-48(57)29-28-46-45-26-13-14-27-49(45)58(50(46)47)43-25-15-24-40(33-43)53-55-51(38-20-9-3-10-21-38)54-52(56-53)39-22-11-4-12-23-39/h1-35H
InChIKeyZTNCWXBOWKXAOO-UHFFFAOYSA-N
XLogP13.25
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
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
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
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
3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118315497
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
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
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
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169037529
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole (CID 90130566) is 3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)c2)cc1.
What is the InChIKey of 3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
The InChIKey is ZTNCWXBOWKXAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-5-16-36(17-6-1)41-32-42(37-18-7-2-8-19-37)35-44(34-41)57-31-30-47-48(57)29-28-46-45-26-13-14-27-49(45)58(50(46)47)43-25-15-24-40(33-43)53-55-51(38-20-9-3-10-21-38)54-52(56-53)39-22-11-4-12-23-39/h1-35H.
What are the key properties of 3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole has a molecular weight of 741.90 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90130566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).