2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine

C47H30N4 — CID 158215535

IUPAC2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6c(n5)-c5ccccc5C6)ccc43)c2)cc1
InChIInChI=1S/C47H30N4/c1-2-11-30(12-3-1)31-14-10-15-36(26-31)50-42-19-8-6-17-38(42)40-27-32(21-23-44(40)50)33-22-24-45-41(28-33)39-18-7-9-20-43(39)51(45)47-48-29-35-25-34-13-4-5-16-37(34)46(35)49-47/h1-24,26-29H,25H2
InChIKeyMBQAWBAMLGJUBG-UHFFFAOYSA-N
MW650.79 g/mol
LogP11.58
Rot. Bonds4

About 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine

2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine (PubChem CID 158215535) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
PubChem CID158215535
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6c(n5)-c5ccccc5C6)ccc43)c2)cc1
InChIInChI=1S/C47H30N4/c1-2-11-30(12-3-1)31-14-10-15-36(26-31)50-42-19-8-6-17-38(42)40-27-32(21-23-44(40)50)33-22-24-45-41(28-33)39-18-7-9-20-43(39)51(45)47-48-29-35-25-34-13-4-5-16-37(34)46(35)49-47/h1-24,26-29H,25H2
InChIKeyMBQAWBAMLGJUBG-UHFFFAOYSA-N
XLogP11.58
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
9-[3-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenylcarbazole
CID 171468732
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158454964
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086331
2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine
CID 158005802
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
CID 158375746
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
8-(3-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177271411

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine (CID 158215535) is 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6c(n5)-c5ccccc5C6)ccc43)c2)cc1.
What is the InChIKey of 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine?
The InChIKey is MBQAWBAMLGJUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-2-11-30(12-3-1)31-14-10-15-36(26-31)50-42-19-8-6-17-38(42)40-27-32(21-23-44(40)50)33-22-24-45-41(28-33)39-18-7-9-20-43(39)51(45)47-48-29-35-25-34-13-4-5-16-37(34)46(35)49-47/h1-24,26-29H,25H2.
What are the key properties of 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine?
2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine has a molecular weight of 650.79 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 158215535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).