2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine

C50H34N4O — CID 142324396

IUPAC2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine
SMILESC1=CC2=c3c(n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)cccc34)=CCC2C=C1
InChIInChI=1S/C50H34N4O/c1-4-16-34(17-5-1)41-32-42(35-18-6-2-7-19-35)52-50(51-41)54-44-29-27-33-15-10-11-22-38(33)48(44)40-24-14-23-39(49(40)54)36-28-30-47-45(31-36)53(37-20-8-3-9-21-37)43-25-12-13-26-46(43)55-47/h1-26,28-33H,27H2
InChIKeyXNLGFWGQUUOXSY-UHFFFAOYSA-N
MW706.85 g/mol
LogP11.07
Rot. Bonds5

About 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine

2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine (PubChem CID 142324396) has the molecular formula C50H34N4O and a molecular weight of 706.85 g/mol. Its IUPAC name is 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine.

Molecular Properties

Compound Name2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine
PubChem CID142324396
Molecular FormulaC50H34N4O
Molecular Weight706.85 g/mol
Exact Mass706.27
IUPAC Name2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine
SMILESC1=CC2=c3c(n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)cccc34)=CCC2C=C1
InChIInChI=1S/C50H34N4O/c1-4-16-34(17-5-1)41-32-42(35-18-6-2-7-19-35)52-50(51-41)54-44-29-27-33-15-10-11-22-38(33)48(44)40-24-14-23-39(49(40)54)36-28-30-47-45(31-36)53(37-20-8-3-9-21-37)43-25-12-13-26-46(43)55-47/h1-26,28-33H,27H2
InChIKeyXNLGFWGQUUOXSY-UHFFFAOYSA-N
XLogP11.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4a,5-dihydrobenzo[g]carbazol-8-yl]phenothiazine
CID 134431523
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
CID 134432123
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine
CID 90335790
2-isoquinolin-5-yl-10-phenylphenoxazine
CID 122435685
10-phenyl-2,8-bis(6-phenyldibenzofuran-4-yl)phenoxazine
CID 126612218
10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine
CID 134430890
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine
CID 134432063
25-(4,6-diphenylpyrimidin-2-yl)-3,10-dioxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.017,22]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20-decaene
CID 134179109
10-[5-(2,6-diphenylpyrimidin-4-yl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenoxazin-10-ylphenyl]phenyl]-4-[4-[10-[5-(4,6-diphenylpyrimidin-2-yl)-2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(10-phenylphenazin-5-yl)phenyl]phenyl]phenazin-5-yl]phenyl]phenoxazine
CID 129302367
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
11-(3-carbazol-9-ylphenyl)-12-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 134240128

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine?
The IUPAC name of 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine (CID 142324396) is 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine.
What is the SMILES notation for 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine?
The canonical SMILES for 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine is C1=CC2=c3c(n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)cccc34)=CCC2C=C1.
What is the InChIKey of 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine?
The InChIKey is XNLGFWGQUUOXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O/c1-4-16-34(17-5-1)41-32-42(35-18-6-2-7-19-35)52-50(51-41)54-44-29-27-33-15-10-11-22-38(33)48(44)40-24-14-23-39(49(40)54)36-28-30-47-45(31-36)53(37-20-8-3-9-21-37)43-25-12-13-26-46(43)55-47/h1-26,28-33H,27H2.
What are the key properties of 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine?
2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine has a molecular weight of 706.85 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenylpyrimidin-2-yl)-4a,5-dihydrobenzo[g]carbazol-8-yl]-10-phenylphenoxazine is sourced from PubChem (CID 142324396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).