5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole

C45H29N5 — CID 118587723

IUPAC5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4c4ncccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-13-30(14-5-1)38-29-39(31-15-6-2-7-16-31)48-45(47-38)50-41-21-12-26-46-44(41)37-25-23-33(28-43(37)50)32-22-24-36-35-19-10-11-20-40(35)49(42(36)27-32)34-17-8-3-9-18-34/h1-29H
InChIKeyWUMLDOBUECRGCX-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

About 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole

5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole (PubChem CID 118587723) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
PubChem CID118587723
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4c4ncccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-13-30(14-5-1)38-29-39(31-15-6-2-7-16-31)48-45(47-38)50-41-21-12-26-46-44(41)37-25-23-33(28-43(37)50)32-22-24-36-35-19-10-11-20-40(35)49(42(36)27-32)34-17-8-3-9-18-34/h1-29H
InChIKeyWUMLDOBUECRGCX-UHFFFAOYSA-N
XLogP11.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 129222031
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585
5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
CID 131996675
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
5-phenyl-8-[9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 129221692
8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 129221693
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
5-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587835

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole?
The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole (CID 118587723) is 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole?
The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4c4ncccc43)n2)cc1.
What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole?
The InChIKey is WUMLDOBUECRGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-13-30(14-5-1)38-29-39(31-15-6-2-7-16-31)48-45(47-38)50-41-21-12-26-46-44(41)37-25-23-33(28-43(37)50)32-22-24-36-35-19-10-11-20-40(35)49(42(36)27-32)34-17-8-3-9-18-34/h1-29H.
What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole?
5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole has a molecular weight of 639.76 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 118587723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).