8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole

C45H29N5 — CID 135252602

IUPAC8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccncc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-3-11-30(12-4-1)39-28-40(48-45(47-39)32-13-5-2-6-14-32)31-19-21-33(22-20-31)49-43-24-23-34(27-37(43)38-29-46-26-25-44(38)49)50-41-17-9-7-15-35(41)36-16-8-10-18-42(36)50/h1-29H
InChIKeyNIHCWPMKEHXHCQ-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

About 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole

8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole (PubChem CID 135252602) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
PubChem CID135252602
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccncc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-3-11-30(12-4-1)39-28-40(48-45(47-39)32-13-5-2-6-14-32)31-19-21-33(22-20-31)49-43-24-23-34(27-37(43)38-29-46-26-25-44(38)49)50-41-17-9-7-15-35(41)36-16-8-10-18-42(36)50/h1-29H
InChIKeyNIHCWPMKEHXHCQ-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

3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole
CID 151501628
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
3-carbazol-9-yl-9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 162231924
3-carbazol-9-yl-6-[4-(6-carbazol-9-yl-9-pyridin-4-ylcarbazol-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-pyridin-4-ylcarbazole
CID 139317575

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole?
The IUPAC name of 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole (CID 135252602) is 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole is c1ccc(-c2cc(-c3ccc(-n4c5ccncc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole?
The InChIKey is NIHCWPMKEHXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-3-11-30(12-4-1)39-28-40(48-45(47-39)32-13-5-2-6-14-32)31-19-21-33(22-20-31)49-43-24-23-34(27-37(43)38-29-46-26-25-44(38)49)50-41-17-9-7-15-35(41)36-16-8-10-18-42(36)50/h1-29H.
What are the key properties of 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole?
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-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 8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 135252602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).