1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole

C52H34N8 — CID 163901988

IUPAC1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4ccc5ccc6ccn(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c54)c3)n2)cc1
InChIInChI=1S/C52H34N8/c1-5-15-37(16-6-1)47-53-48(38-17-7-2-8-18-38)56-51(55-47)41-23-13-25-43(33-41)59-31-29-35-27-28-36-30-32-60(46(36)45(35)59)44-26-14-24-42(34-44)52-57-49(39-19-9-3-10-20-39)54-50(58-52)40-21-11-4-12-22-40/h1-34H
InChIKeyQKQNZKHQPIOPCU-UHFFFAOYSA-N
MW770.90 g/mol
LogP11.95
Rot. Bonds8

About 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole

1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole (PubChem CID 163901988) has the molecular formula C52H34N8 and a molecular weight of 770.90 g/mol. Its IUPAC name is 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole.

Molecular Properties

Compound Name1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole
PubChem CID163901988
Molecular FormulaC52H34N8
Molecular Weight770.90 g/mol
Exact Mass770.29
IUPAC Name1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4ccc5ccc6ccn(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c54)c3)n2)cc1
InChIInChI=1S/C52H34N8/c1-5-15-37(16-6-1)47-53-48(38-17-7-2-8-18-38)56-51(55-47)41-23-13-25-43(33-41)59-31-29-35-27-28-36-30-32-60(46(36)45(35)59)44-26-14-24-42(34-44)52-57-49(39-19-9-3-10-20-39)54-50(58-52)40-21-11-4-12-22-40/h1-34H
InChIKeyQKQNZKHQPIOPCU-UHFFFAOYSA-N
XLogP11.95
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.90
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diphenylpyrrolo[2,3-a]carbazole
CID 123652217
12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-18-phenyl-12,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,21]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(21),19,22-undecaene
CID 90223661
1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
CID 90091012
8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole
CID 163632591
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90130670
1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
CID 118317427
1-phenyl-10-[4-(4-phenylphenyl)-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90091343
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole
CID 154596544
22-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,22-diazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene
CID 155153229
18-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90223402
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole?
The IUPAC name of 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole (CID 163901988) is 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole.
What is the SMILES notation for 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole?
The canonical SMILES for 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4ccc5ccc6ccn(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c54)c3)n2)cc1.
What is the InChIKey of 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole?
The InChIKey is QKQNZKHQPIOPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N8/c1-5-15-37(16-6-1)47-53-48(38-17-7-2-8-18-38)56-51(55-47)41-23-13-25-43(33-41)59-31-29-35-27-28-36-30-32-60(46(36)45(35)59)44-26-14-24-42(34-44)52-57-49(39-19-9-3-10-20-39)54-50(58-52)40-21-11-4-12-22-40/h1-34H.
What are the key properties of 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole?
1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole has a molecular weight of 770.90 g/mol, XLogP of 11.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole is sourced from PubChem (CID 163901988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).