5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol

C53H35N3O — CID 118372596

IUPAC5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol
SMILESOC1(c2ccccc2-n2c3ccccc3c3ccccc32)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C53H35N3O/c57-53(45-23-11-14-26-48(45)56-46-24-12-8-19-41(46)42-20-9-13-25-47(42)56)44-22-10-7-21-43(44)51-49(53)50(39-31-27-37(28-32-39)35-15-3-1-4-16-35)54-52(55-51)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34,57H
InChIKeyNPUKNDJISKJCNN-UHFFFAOYSA-N
MW729.88 g/mol
LogP12.51
Rot. Bonds6

About 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol

5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol (PubChem CID 118372596) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol.

Molecular Properties

Compound Name5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol
PubChem CID118372596
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol
SMILESOC1(c2ccccc2-n2c3ccccc3c3ccccc32)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C53H35N3O/c57-53(45-23-11-14-26-48(45)56-46-24-12-8-19-41(46)42-20-9-13-25-47(42)56)44-22-10-7-21-43(44)51-49(53)50(39-31-27-37(28-32-39)35-15-3-1-4-16-35)54-52(55-51)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34,57H
InChIKeyNPUKNDJISKJCNN-UHFFFAOYSA-N
XLogP12.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 512.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
4'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine]
CID 118372555
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]
CID 159294131
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
1-bromo-9-(2-carbazol-9-ylphenyl)fluoren-9-ol
CID 140910477
2'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 153303758
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 130334516
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100168

Frequently Asked Questions

What is the IUPAC name of 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol?
The IUPAC name of 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol (CID 118372596) is 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol.
What is the SMILES notation for 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol?
The canonical SMILES for 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol is OC1(c2ccccc2-n2c3ccccc3c3ccccc32)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol?
The InChIKey is NPUKNDJISKJCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c57-53(45-23-11-14-26-48(45)56-46-24-12-8-19-41(46)42-20-9-13-25-47(42)56)44-22-10-7-21-43(44)51-49(53)50(39-31-27-37(28-32-39)35-15-3-1-4-16-35)54-52(55-51)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34,57H.
What are the key properties of 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol?
5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol has a molecular weight of 729.88 g/mol, XLogP of 12.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol is sourced from PubChem (CID 118372596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).