11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

C45H29N5O — CID 163658827

IUPAC11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3OC2c2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C45H29N5O/c1-3-14-28(15-4-1)43-46-44(48-45(47-43)50-36-23-10-7-18-30(36)31-19-8-11-24-37(31)50)35-22-13-21-32-33-26-27-39-40(42(33)51-41(32)35)34-20-9-12-25-38(34)49(39)29-16-5-2-6-17-29/h1-27,33,42H
InChIKeyLQIZCLLQZAEISZ-UHFFFAOYSA-N
MW655.76 g/mol
LogP10.49
Rot. Bonds4

About 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 163658827) has the molecular formula C45H29N5O and a molecular weight of 655.76 g/mol. Its IUPAC name is 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID163658827
Molecular FormulaC45H29N5O
Molecular Weight655.76 g/mol
Exact Mass655.24
IUPAC Name11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3OC2c2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C45H29N5O/c1-3-14-28(15-4-1)43-46-44(48-45(47-43)50-36-23-10-7-18-30(36)31-19-8-11-24-37(31)50)35-22-13-21-32-33-26-27-39-40(42(33)51-41(32)35)34-20-9-12-25-38(34)49(39)29-16-5-2-6-17-29/h1-27,33,42H
InChIKeyLQIZCLLQZAEISZ-UHFFFAOYSA-N
XLogP10.49
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.76
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[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

Frequently Asked Questions

What is the IUPAC name of 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 163658827) is 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3OC2c2c1n(-c1ccccc1)c1ccccc21.
What is the InChIKey of 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is LQIZCLLQZAEISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5O/c1-3-14-28(15-4-1)43-46-44(48-45(47-43)50-36-23-10-7-18-30(36)31-19-8-11-24-37(31)50)35-22-13-21-32-33-26-27-39-40(42(33)51-41(32)35)34-20-9-12-25-38(34)49(39)29-16-5-2-6-17-29/h1-27,33,42H.
What are the key properties of 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 655.76 g/mol, XLogP of 10.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163658827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).