12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole

C63H40N6 — CID 165165625

IUPAC12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6ccccc6-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C63H40N6/c1-4-21-41(22-5-1)44-27-10-11-28-45(44)46-29-12-16-34-53(46)68-54-35-17-13-30-47(54)49-39-40-50-48-31-14-18-36-55(48)69(60(50)59(49)68)63-65-61(42-23-6-2-7-24-42)64-62(66-63)52-33-20-38-57-58(52)51-32-15-19-37-56(51)67(57)43-25-8-3-9-26-43/h1-40H
InChIKeyANFJJJCJFLJKQY-UHFFFAOYSA-N
MW881.06 g/mol
LogP15.83
Rot. Bonds7

About 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole

12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole (PubChem CID 165165625) has the molecular formula C63H40N6 and a molecular weight of 881.06 g/mol. Its IUPAC name is 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
PubChem CID165165625
Molecular FormulaC63H40N6
Molecular Weight881.06 g/mol
Exact Mass880.33
IUPAC Name12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6ccccc6-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C63H40N6/c1-4-21-41(22-5-1)44-27-10-11-28-45(44)46-29-12-16-34-53(46)68-54-35-17-13-30-47(54)49-39-40-50-48-31-14-18-36-55(48)69(60(50)59(49)68)63-65-61(42-23-6-2-7-24-42)64-62(66-63)52-33-20-38-57-58(52)51-32-15-19-37-56(51)67(57)43-25-8-3-9-26-43/h1-40H
InChIKeyANFJJJCJFLJKQY-UHFFFAOYSA-N
XLogP15.83
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.06
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-phenyl-12-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014688
11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165165404
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 169037359
12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 134169019
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169037460
11-(3-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200
11-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[a]carbazole
CID 166915748
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
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 135297330
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
CID 163893675
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730

Frequently Asked Questions

What is the IUPAC name of 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole (CID 165165625) is 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6ccccc6-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is ANFJJJCJFLJKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N6/c1-4-21-41(22-5-1)44-27-10-11-28-45(44)46-29-12-16-34-53(46)68-54-35-17-13-30-47(54)49-39-40-50-48-31-14-18-36-55(48)69(60(50)59(49)68)63-65-61(42-23-6-2-7-24-42)64-62(66-63)52-33-20-38-57-58(52)51-32-15-19-37-56(51)67(57)43-25-8-3-9-26-43/h1-40H.
What are the key properties of 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 881.06 g/mol, XLogP of 15.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-11-[2-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 165165625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).