10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine

C62H40N4O — CID 134430890

IUPAC10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)N(c7ccccc7)c7ccccc7O8)cc6c6c7ccccc7ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C62H40N4O/c1-4-15-41(16-5-1)42-27-29-44(30-28-42)53-40-54(64-62(63-53)45-18-6-2-7-19-45)48-20-14-23-50(37-48)66-55-34-32-46(38-52(55)61-51-24-11-10-17-43(51)31-35-57(61)66)47-33-36-60-58(39-47)65(49-21-8-3-9-22-49)56-25-12-13-26-59(56)67-60/h1-40H
InChIKeyAVUMDVWLIVNDIW-UHFFFAOYSA-N
MW857.03 g/mol
LogP16.64
Rot. Bonds7

About 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine

10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine (PubChem CID 134430890) has the molecular formula C62H40N4O and a molecular weight of 857.03 g/mol. Its IUPAC name is 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine
PubChem CID134430890
Molecular FormulaC62H40N4O
Molecular Weight857.03 g/mol
Exact Mass856.32
IUPAC Name10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)N(c7ccccc7)c7ccccc7O8)cc6c6c7ccccc7ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C62H40N4O/c1-4-15-41(16-5-1)42-27-29-44(30-28-42)53-40-54(64-62(63-53)45-18-6-2-7-19-45)48-20-14-23-50(37-48)66-55-34-32-46(38-52(55)61-51-24-11-10-17-43(51)31-35-57(61)66)47-33-36-60-58(39-47)65(49-21-8-3-9-22-49)56-25-12-13-26-59(56)67-60/h1-40H
InChIKeyAVUMDVWLIVNDIW-UHFFFAOYSA-N
XLogP16.64
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.03
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenothiazine
CID 134431820
12-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 122551002
10-phenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[c]carbazol-11-yl]phenoxazine
CID 134431759
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 142324268
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 71287049
12-[3-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449376
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
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine?
The IUPAC name of 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine (CID 134430890) is 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine?
The canonical SMILES for 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine is c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)N(c7ccccc7)c7ccccc7O8)cc6c6c7ccccc7ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine?
The InChIKey is AVUMDVWLIVNDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4O/c1-4-15-41(16-5-1)42-27-29-44(30-28-42)53-40-54(64-62(63-53)45-18-6-2-7-19-45)48-20-14-23-50(37-48)66-55-34-32-46(38-52(55)61-51-24-11-10-17-43(51)31-35-57(61)66)47-33-36-60-58(39-47)65(49-21-8-3-9-22-49)56-25-12-13-26-59(56)67-60/h1-40H.
What are the key properties of 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine?
10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine has a molecular weight of 857.03 g/mol, XLogP of 16.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine is sourced from PubChem (CID 134430890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).