5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole

C51H35N5 — CID 162363414

IUPAC5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H35N5/c1-4-14-34(15-5-1)35-24-26-37(27-25-35)50-52-49(36-16-6-2-7-17-36)53-51(54-50)38-28-30-40(31-29-38)56-44-22-12-10-20-41(44)42-32-33-46-47(48(42)56)43-21-11-13-23-45(43)55(46)39-18-8-3-9-19-39/h1-33,51H,(H,52,53,54)
InChIKeySFZPWEQZCLTPBH-UHFFFAOYSA-N
MW717.88 g/mol
LogP12.04
Rot. Bonds6

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

5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 162363414) has the molecular formula C51H35N5 and a molecular weight of 717.88 g/mol. Its IUPAC name is 5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID162363414
Molecular FormulaC51H35N5
Molecular Weight717.88 g/mol
Exact Mass717.29
IUPAC Name5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H35N5/c1-4-14-34(15-5-1)35-24-26-37(27-25-35)50-52-49(36-16-6-2-7-17-36)53-51(54-50)38-28-30-40(31-29-38)56-44-22-12-10-20-41(44)42-32-33-46-47(48(42)56)43-21-11-13-23-45(43)55(46)39-18-8-3-9-19-39/h1-33,51H,(H,52,53,54)
InChIKeySFZPWEQZCLTPBH-UHFFFAOYSA-N
XLogP12.04
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.88
LogP ≤ 512.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166915678
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole
CID 123393594
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole (CID 162363414) is 5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(C2=NC(c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is SFZPWEQZCLTPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5/c1-4-14-34(15-5-1)35-24-26-37(27-25-35)50-52-49(36-16-6-2-7-17-36)53-51(54-50)38-28-30-40(31-29-38)56-44-22-12-10-20-41(44)42-32-33-46-47(48(42)56)43-21-11-13-23-45(43)55(46)39-18-8-3-9-19-39/h1-33,51H,(H,52,53,54).
What are the key properties of 5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole?
5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 717.88 g/mol, XLogP of 12.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 162363414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).