9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole

C46H30N4 — CID 118232378

IUPAC9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C46H30N4/c1-4-15-31(16-5-1)32-17-14-18-33(29-32)44-43-38-24-11-13-26-41(38)50(36-21-8-3-9-22-36)46(43)48-45(47-44)34-27-28-42-39(30-34)37-23-10-12-25-40(37)49(42)35-19-6-2-7-20-35/h1-30H
InChIKeyMMCPNANMYHDWOJ-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

About 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole

9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole (PubChem CID 118232378) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole.

Molecular Properties

Compound Name9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
PubChem CID118232378
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C46H30N4/c1-4-15-31(16-5-1)32-17-14-18-33(29-32)44-43-38-24-11-13-26-41(38)50(36-21-8-3-9-22-36)46(43)48-45(47-44)34-27-28-42-39(30-34)37-23-10-12-25-40(37)49(42)35-19-6-2-7-20-35/h1-30H
InChIKeyMMCPNANMYHDWOJ-UHFFFAOYSA-N
XLogP11.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-carbazol-9-ylphenyl)-9-phenyl-4-(9-phenylcarbazol-3-yl)pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 159842963
2-[3-(3-carbazol-9-ylphenyl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010743
2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole
CID 158253323
4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole
CID 118232381
4,9-diphenyl-2-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]pyrimido[4,5-b]indole
CID 122628977
10-[3-(4,9-diphenylpyrimido[4,5-b]indol-2-yl)phenyl]-7-phenylbenzo[c]carbazole;9-phenyl-4-(3-phenylphenyl)-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;7-phenyl-10-[3-[9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indol-2-yl]phenyl]benzo[c]carbazole
CID 159801398
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,9-diphenylpyrimido[4,5-b]indole
CID 122628951
4,9-diphenyl-2-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]pyrimido[4,5-b]indole
CID 122628960
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole
CID 158145179
4-(3-dibenzofuran-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrimido[4,5-b]indole
CID 154010794

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
The IUPAC name of 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole (CID 118232378) is 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole.
What is the SMILES notation for 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
The canonical SMILES for 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
The InChIKey is MMCPNANMYHDWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-15-31(16-5-1)32-17-14-18-33(29-32)44-43-38-24-11-13-26-41(38)50(36-21-8-3-9-22-36)46(43)48-45(47-44)34-27-28-42-39(30-34)37-23-10-12-25-40(37)49(42)35-19-6-2-7-20-35/h1-30H.
What are the key properties of 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole has a molecular weight of 638.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole is sourced from PubChem (CID 118232378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).