2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole

C44H28N6 — CID 154010785

IUPAC2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N6/c1-4-16-29(17-5-1)35-28-36(30-18-6-2-7-19-30)46-42(45-35)41-40-34-24-12-15-27-39(34)49(31-20-8-3-9-21-31)43(40)48-44(47-41)50-37-25-13-10-22-32(37)33-23-11-14-26-38(33)50/h1-28H
InChIKeyUQXRCKBZACQENK-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.46
Rot. Bonds5

About 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole

2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole (PubChem CID 154010785) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole.

Molecular Properties

Compound Name2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole
PubChem CID154010785
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N6/c1-4-16-29(17-5-1)35-28-36(30-18-6-2-7-19-30)46-42(45-35)41-40-34-24-12-15-27-39(34)49(31-20-8-3-9-21-31)43(40)48-44(47-41)50-37-25-13-10-22-32(37)33-23-11-14-26-38(33)50/h1-28H
InChIKeyUQXRCKBZACQENK-UHFFFAOYSA-N
XLogP10.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,9-diphenylpyrimido[4,5-b]indole
CID 122628951
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
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-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 140937291
2-[3-(3-carbazol-9-ylphenyl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010743
4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole
CID 118232381
9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
CID 118232378
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
4,9-diphenyl-2-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]pyrimido[4,5-b]indole
CID 122628960
4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 158901392
9-(4,6-diphenylpyrimidin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)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;9-(4,6-diphenylpyrimidin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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 159568405
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
4,9-diphenyl-2-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]pyrimido[4,5-b]indole
CID 122628977

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole?
The IUPAC name of 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole (CID 154010785) is 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole.
What is the SMILES notation for 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole?
The canonical SMILES for 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole?
The InChIKey is UQXRCKBZACQENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-4-16-29(17-5-1)35-28-36(30-18-6-2-7-19-30)46-42(45-35)41-40-34-24-12-15-27-39(34)49(31-20-8-3-9-21-31)43(40)48-44(47-41)50-37-25-13-10-22-32(37)33-23-11-14-26-38(33)50/h1-28H.
What are the key properties of 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole?
2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-(4,6-diphenylpyrimidin-2-yl)-9-phenylpyrimido[4,5-b]indole is sourced from PubChem (CID 154010785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).