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

C51H37N5 — CID 174276849

IUPAC11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(C4N=C(n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)NC(c5ccccc5)N4)c3)cc2)cc1
InChIInChI=1S/C51H37N5/c1-4-15-34(16-5-1)35-27-29-36(30-28-35)38-19-14-20-39(33-38)50-52-49(37-17-6-2-7-18-37)53-51(54-50)56-46-26-13-11-24-42(46)44-32-31-43-41-23-10-12-25-45(41)55(47(43)48(44)56)40-21-8-3-9-22-40/h1-33,49-50,52H,(H,53,54)
InChIKeyIWNZVVQBKOHNTP-UHFFFAOYSA-N
MW719.89 g/mol
LogP12.02
Rot. Bonds5

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

11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole (PubChem CID 174276849) has the molecular formula C51H37N5 and a molecular weight of 719.89 g/mol. Its IUPAC name is 11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
PubChem CID174276849
Molecular FormulaC51H37N5
Molecular Weight719.89 g/mol
Exact Mass719.30
IUPAC Name11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(C4N=C(n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)NC(c5ccccc5)N4)c3)cc2)cc1
InChIInChI=1S/C51H37N5/c1-4-15-34(16-5-1)35-27-29-36(30-28-35)38-19-14-20-39(33-38)50-52-49(37-17-6-2-7-18-37)53-51(54-50)56-46-26-13-11-24-42(46)44-32-31-43-41-23-10-12-25-45(41)55(47(43)48(44)56)40-21-8-3-9-22-40/h1-33,49-50,52H,(H,53,54)
InChIKeyIWNZVVQBKOHNTP-UHFFFAOYSA-N
XLogP12.02
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 512.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

11-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 118398709
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
9-[4-(3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1-phenylcarbazole
CID 163513033
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
20-(4-dibenzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-phenyl-3,5,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 165030482
9-[4-(3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]carbazole
CID 163869835
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 137245677
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CID 126677996
12-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 145085099
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole (CID 174276849) is 11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3cccc(C4N=C(n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)NC(c5ccccc5)N4)c3)cc2)cc1.
What is the InChIKey of 11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?
The InChIKey is IWNZVVQBKOHNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5/c1-4-15-34(16-5-1)35-27-29-36(30-28-35)38-19-14-20-39(33-38)50-52-49(37-17-6-2-7-18-37)53-51(54-50)56-46-26-13-11-24-42(46)44-32-31-43-41-23-10-12-25-45(41)55(47(43)48(44)56)40-21-8-3-9-22-40/h1-33,49-50,52H,(H,53,54).
What are the key properties of 11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?
11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole has a molecular weight of 719.89 g/mol, XLogP of 12.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 174276849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).