6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole

C43H31N5 — CID 126560377

IUPAC6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole
SMILESCC1(C)C(c2ccccc2)=Nc2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H31N5/c1-43(2)34-26-27-36-37(38(34)44-39(43)28-14-6-3-7-15-28)33-20-12-13-21-35(33)48(36)32-24-22-31(23-25-32)42-46-40(29-16-8-4-9-17-29)45-41(47-42)30-18-10-5-11-19-30/h3-27H,1-2H3
InChIKeyPAFDDSBWXJQMLI-UHFFFAOYSA-N
MW617.76 g/mol
LogP10.38
Rot. Bonds5

About 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole (PubChem CID 126560377) has the molecular formula C43H31N5 and a molecular weight of 617.76 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole
PubChem CID126560377
Molecular FormulaC43H31N5
Molecular Weight617.76 g/mol
Exact Mass617.26
IUPAC Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole
SMILESCC1(C)C(c2ccccc2)=Nc2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H31N5/c1-43(2)34-26-27-36-37(38(34)44-39(43)28-14-6-3-7-15-28)33-20-12-13-21-35(33)48(36)32-24-22-31(23-25-32)42-46-40(29-16-8-4-9-17-29)45-41(47-42)30-18-10-5-11-19-30/h3-27H,1-2H3
InChIKeyPAFDDSBWXJQMLI-UHFFFAOYSA-N
XLogP10.38
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.76
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937273
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139481059
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole
CID 126559873
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139496806

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole?
The IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole (CID 126560377) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole is CC1(C)C(c2ccccc2)=Nc2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole?
The InChIKey is PAFDDSBWXJQMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5/c1-43(2)34-26-27-36-37(38(34)44-39(43)28-14-6-3-7-15-28)33-20-12-13-21-35(33)48(36)32-24-22-31(23-25-32)42-46-40(29-16-8-4-9-17-29)45-41(47-42)30-18-10-5-11-19-30/h3-27H,1-2H3.
What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole?
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole has a molecular weight of 617.76 g/mol, XLogP of 10.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole is sourced from PubChem (CID 126560377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).