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

C55H35N7 — CID 90091343

IUPAC1-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
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6ccn(-c7ccccc7)c6c54)nc(-n4c5ccccc5c5ccc6ccn(-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C55H35N7/c1-4-14-36(15-5-1)37-24-26-40(27-25-37)53-56-54(61-47-22-12-10-20-43(47)45-30-28-38-32-34-59(49(38)51(45)61)41-16-6-2-7-17-41)58-55(57-53)62-48-23-13-11-21-44(48)46-31-29-39-33-35-60(50(39)52(46)62)42-18-8-3-9-19-42/h1-35H
InChIKeyFIXJBFVNHJBVDJ-UHFFFAOYSA-N
MW793.93 g/mol
LogP13.29
Rot. Bonds6

About 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

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 (PubChem CID 90091343) has the molecular formula C55H35N7 and a molecular weight of 793.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID90091343
Molecular FormulaC55H35N7
Molecular Weight793.93 g/mol
Exact Mass793.30
IUPAC Name1-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
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6ccn(-c7ccccc7)c6c54)nc(-n4c5ccccc5c5ccc6ccn(-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C55H35N7/c1-4-14-36(15-5-1)37-24-26-40(27-25-37)53-56-54(61-47-22-12-10-20-43(47)45-30-28-38-32-34-59(49(38)51(45)61)41-16-6-2-7-17-41)58-55(57-53)62-48-23-13-11-21-44(48)46-31-29-39-33-35-60(50(39)52(46)62)42-18-8-3-9-19-42/h1-35H
InChIKeyFIXJBFVNHJBVDJ-UHFFFAOYSA-N
XLogP13.29
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
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1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
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10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90130670
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaene
CID 90223375
1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diphenylpyrrolo[2,3-a]carbazole
CID 123652217
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene
CID 90223081

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6ccn(-c7ccccc7)c6c54)nc(-n4c5ccccc5c5ccc6ccn(-c7ccccc7)c6c54)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is FIXJBFVNHJBVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N7/c1-4-14-36(15-5-1)37-24-26-40(27-25-37)53-56-54(61-47-22-12-10-20-43(47)45-30-28-38-32-34-59(49(38)51(45)61)41-16-6-2-7-17-41)58-55(57-53)62-48-23-13-11-21-44(48)46-31-29-39-33-35-60(50(39)52(46)62)42-18-8-3-9-19-42/h1-35H.
What are the key properties of 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?
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 has a molecular weight of 793.93 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90091343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).