2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole

C34H22N4 — CID 118232303

IUPAC2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole
SMILESc1ccc(-n2c3ccccc3c3cnc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc32)cc1
InChIInChI=1S/C34H22N4/c1-2-12-24(13-3-1)38-32-20-9-6-17-28(32)29-22-35-33(36-34(29)38)23-11-10-14-25(21-23)37-30-18-7-4-15-26(30)27-16-5-8-19-31(27)37/h1-22H
InChIKeyMSWGPUDJICGWEL-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.34
Rot. Bonds3

About 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole

2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole (PubChem CID 118232303) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole.

Molecular Properties

Compound Name2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole
PubChem CID118232303
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole
SMILESc1ccc(-n2c3ccccc3c3cnc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc32)cc1
InChIInChI=1S/C34H22N4/c1-2-12-24(13-3-1)38-32-20-9-6-17-28(32)29-22-35-33(36-34(29)38)23-11-10-14-25(21-23)37-30-18-7-4-15-26(30)27-16-5-8-19-31(27)37/h1-22H
InChIKeyMSWGPUDJICGWEL-UHFFFAOYSA-N
XLogP8.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-carbazol-9-ylphenyl)-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484320
2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-d]pyrimidine
CID 121433906
2-[3-(3-carbazol-9-ylphenyl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010743
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 102416966
4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole
CID 118232381
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
2-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232330
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole?
The IUPAC name of 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole (CID 118232303) is 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole.
What is the SMILES notation for 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole?
The canonical SMILES for 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole is c1ccc(-n2c3ccccc3c3cnc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc32)cc1.
What is the InChIKey of 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole?
The InChIKey is MSWGPUDJICGWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-2-12-24(13-3-1)38-32-20-9-6-17-28(32)29-22-35-33(36-34(29)38)23-11-10-14-25(21-23)37-30-18-7-4-15-26(30)27-16-5-8-19-31(27)37/h1-22H.
What are the key properties of 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole?
2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole has a molecular weight of 486.58 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole is sourced from PubChem (CID 118232303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).