3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine

C52H34N4O — CID 90335790

IUPAC3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine
SMILESc1ccc(-c2ccc(N3c4ccccc4Oc4cc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6c5)ccc43)cc2)cc1
InChIInChI=1S/C52H34N4O/c1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-47-22-12-13-23-50(47)57-51-33-40(27-31-48(51)55)39-26-30-43-42-20-10-11-21-46(42)56(49(43)32-39)52-53-44(37-16-6-2-7-17-37)34-45(54-52)38-18-8-3-9-19-38/h1-34H
InChIKeyFJIVXBZLNSGKSO-UHFFFAOYSA-N
MW730.87 g/mol
LogP13.82
Rot. Bonds6

About 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine

3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine (PubChem CID 90335790) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine.

Molecular Properties

Compound Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine
PubChem CID90335790
Molecular FormulaC52H34N4O
Molecular Weight730.87 g/mol
Exact Mass730.27
IUPAC Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine
SMILESc1ccc(-c2ccc(N3c4ccccc4Oc4cc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6c5)ccc43)cc2)cc1
InChIInChI=1S/C52H34N4O/c1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-47-22-12-13-23-50(47)57-51-33-40(27-31-48(51)55)39-26-30-43-42-20-10-11-21-46(42)56(49(43)32-39)52-53-44(37-16-6-2-7-17-37)34-45(54-52)38-18-8-3-9-19-38/h1-34H
InChIKeyFJIVXBZLNSGKSO-UHFFFAOYSA-N
XLogP13.82
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
CID 134475859
3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine
CID 118517036
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
9-(4-carbazol-9-ylphenyl)-3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]acridin-9-one;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
CID 161300405
[4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159916743
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]phenyl]-9-phenylcarbazole;2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;2-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-9-phenylcarbazole
CID 159843994
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine?
The IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine (CID 90335790) is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine.
What is the SMILES notation for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine?
The canonical SMILES for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine is c1ccc(-c2ccc(N3c4ccccc4Oc4cc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6c5)ccc43)cc2)cc1.
What is the InChIKey of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine?
The InChIKey is FJIVXBZLNSGKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-47-22-12-13-23-50(47)57-51-33-40(27-31-48(51)55)39-26-30-43-42-20-10-11-21-46(42)56(49(43)32-39)52-53-44(37-16-6-2-7-17-37)34-45(54-52)38-18-8-3-9-19-38/h1-34H.
What are the key properties of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine?
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine has a molecular weight of 730.87 g/mol, XLogP of 13.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine is sourced from PubChem (CID 90335790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).