4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole

C46H29N5 — CID 118232421

IUPAC4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)c5c(n4)c4ccccc4n5-c4ccccc4)cc32)cc1
InChIInChI=1S/C46H29N5/c1-3-15-31(16-4-1)49-38-23-11-7-21-35(38)36-28-27-30(29-42(36)49)45-47-43-37-22-10-14-26-41(37)50(32-17-5-2-6-18-32)44(43)46(48-45)51-39-24-12-8-19-33(39)34-20-9-13-25-40(34)51/h1-29H
InChIKeyAUTXFYLOOMCYRY-UHFFFAOYSA-N
MW651.77 g/mol
LogP11.43
Rot. Bonds4

About 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole

4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole (PubChem CID 118232421) has the molecular formula C46H29N5 and a molecular weight of 651.77 g/mol. Its IUPAC name is 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole.

Molecular Properties

Compound Name4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole
PubChem CID118232421
Molecular FormulaC46H29N5
Molecular Weight651.77 g/mol
Exact Mass651.24
IUPAC Name4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)c5c(n4)c4ccccc4n5-c4ccccc4)cc32)cc1
InChIInChI=1S/C46H29N5/c1-3-15-31(16-4-1)49-38-23-11-7-21-35(38)36-28-27-30(29-42(36)49)45-47-43-37-22-10-14-26-41(37)50(32-17-5-2-6-18-32)44(43)46(48-45)51-39-24-12-8-19-33(39)34-20-9-13-25-40(34)51/h1-29H
InChIKeyAUTXFYLOOMCYRY-UHFFFAOYSA-N
XLogP11.43
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole 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

15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170372176
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
11-(3,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165165604
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121465350
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878720
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole
CID 118229253

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole?
The IUPAC name of 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole (CID 118232421) is 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole.
What is the SMILES notation for 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole?
The canonical SMILES for 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)c5c(n4)c4ccccc4n5-c4ccccc4)cc32)cc1.
What is the InChIKey of 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole?
The InChIKey is AUTXFYLOOMCYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5/c1-3-15-31(16-4-1)49-38-23-11-7-21-35(38)36-28-27-30(29-42(36)49)45-47-43-37-22-10-14-26-41(37)50(32-17-5-2-6-18-32)44(43)46(48-45)51-39-24-12-8-19-33(39)34-20-9-13-25-40(34)51/h1-29H.
What are the key properties of 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole?
4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole has a molecular weight of 651.77 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-5-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[5,4-b]indole is sourced from PubChem (CID 118232421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).