phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone

C53H34N4O — CID 121276792

IUPACphenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C53H34N4O/c58-52(37-16-6-2-7-17-37)38-26-24-36(25-27-38)47-34-46(35-14-4-1-5-15-35)54-53(55-47)57-49-23-13-11-21-43(49)45-33-40(29-31-51(45)57)39-28-30-50-44(32-39)42-20-10-12-22-48(42)56(50)41-18-8-3-9-19-41/h1-34H
InChIKeyHQTNXMMUAFNHOW-UHFFFAOYSA-N
MW742.88 g/mol
LogP12.90
Rot. Bonds7

About phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone

phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone (PubChem CID 121276792) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone
PubChem CID121276792
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC Namephenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C53H34N4O/c58-52(37-16-6-2-7-17-37)38-26-24-36(25-27-38)47-34-46(35-14-4-1-5-15-35)54-53(55-47)57-49-23-13-11-21-43(49)45-33-40(29-31-51(45)57)39-28-30-50-44(32-39)42-20-10-12-22-48(42)56(50)41-18-8-3-9-19-41/h1-34H
InChIKeyHQTNXMMUAFNHOW-UHFFFAOYSA-N
XLogP12.90
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone
CID 121276664
methyl 4-[6-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]benzoate
CID 121276765
3-[9-[4-[4-(benzenesulfonyl)phenyl]-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[4-(benzenesulfonyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[4-(benzenesulfonyl)phenyl]-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;[4-[4-(4-benzoylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-phenylmethanone
CID 159496247
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158018815
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281
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
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
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone?
The IUPAC name of phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone (CID 121276792) is phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone?
The canonical SMILES for phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone is O=C(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone?
The InChIKey is HQTNXMMUAFNHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c58-52(37-16-6-2-7-17-37)38-26-24-36(25-27-38)47-34-46(35-14-4-1-5-15-35)54-53(55-47)57-49-23-13-11-21-43(49)45-33-40(29-31-51(45)57)39-28-30-50-44(32-39)42-20-10-12-22-48(42)56(50)41-18-8-3-9-19-41/h1-34H.
What are the key properties of phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone?
phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone has a molecular weight of 742.88 g/mol, XLogP of 12.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone is sourced from PubChem (CID 121276792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).