3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole

C46H29N5 — CID 118487712

IUPAC3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ncccn6)ccc54)ccc32)cc1
InChIInChI=1S/C46H29N5/c1-2-11-32(12-3-1)49-40-16-7-5-15-36(40)39-29-33(21-24-44(39)49)50-41-17-8-4-13-34(41)37-27-30(19-22-43(37)50)31-20-23-45-38(28-31)35-14-6-9-18-42(35)51(45)46-47-25-10-26-48-46/h1-29H
InChIKeyGUFQVSRBJVLPDS-UHFFFAOYSA-N
MW651.77 g/mol
LogP11.43
Rot. Bonds4

About 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole

3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole (PubChem CID 118487712) has the molecular formula C46H29N5 and a molecular weight of 651.77 g/mol. Its IUPAC name is 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
PubChem CID118487712
Molecular FormulaC46H29N5
Molecular Weight651.77 g/mol
Exact Mass651.24
IUPAC Name3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ncccn6)ccc54)ccc32)cc1
InChIInChI=1S/C46H29N5/c1-2-11-32(12-3-1)49-40-16-7-5-15-36(40)39-29-33(21-24-44(39)49)50-41-17-8-4-13-34(41)37-27-30(19-22-43(37)50)31-20-23-45-38(28-31)35-14-6-9-18-42(35)51(45)46-47-25-10-26-48-46/h1-29H
InChIKeyGUFQVSRBJVLPDS-UHFFFAOYSA-N
XLogP11.43
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487701
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
CID 123300627
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole?
The IUPAC name of 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole (CID 118487712) is 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole?
The canonical SMILES for 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ncccn6)ccc54)ccc32)cc1.
What is the InChIKey of 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole?
The InChIKey is GUFQVSRBJVLPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5/c1-2-11-32(12-3-1)49-40-16-7-5-15-36(40)39-29-33(21-24-44(39)49)50-41-17-8-4-13-34(41)37-27-30(19-22-43(37)50)31-20-23-45-38(28-31)35-14-6-9-18-42(35)51(45)46-47-25-10-26-48-46/h1-29H.
What are the key properties of 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole?
3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole has a molecular weight of 651.77 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 118487712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).