10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine

C56H35N7O — CID 135131249

IUPAC10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ncccc54)c(N4c5ccccc5Oc5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H35N7O/c1-3-17-36(18-4-1)41-35-42(60-56(59-41)37-19-5-2-6-20-37)38-33-49(61-43-23-9-7-21-39(43)53-47(61)27-15-31-57-53)55(63-45-25-11-13-29-51(45)64-52-30-14-12-26-46(52)63)50(34-38)62-44-24-10-8-22-40(44)54-48(62)28-16-32-58-54/h1-35H
InChIKeyISZQAGQJJDSVBL-UHFFFAOYSA-N
MW821.94 g/mol
LogP14.04
Rot. Bonds6

About 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine

10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine (PubChem CID 135131249) has the molecular formula C56H35N7O and a molecular weight of 821.94 g/mol. Its IUPAC name is 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine
PubChem CID135131249
Molecular FormulaC56H35N7O
Molecular Weight821.94 g/mol
Exact Mass821.29
IUPAC Name10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ncccc54)c(N4c5ccccc5Oc5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H35N7O/c1-3-17-36(18-4-1)41-35-42(60-56(59-41)37-19-5-2-6-20-37)38-33-49(61-43-23-9-7-21-39(43)53-47(61)27-15-31-57-53)55(63-45-25-11-13-29-51(45)64-52-30-14-12-26-46(52)63)50(34-38)62-44-24-10-8-22-40(44)54-48(62)28-16-32-58-54/h1-35H
InChIKeyISZQAGQJJDSVBL-UHFFFAOYSA-N
XLogP14.04
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.94
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131420
5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-2-pyrido[3,2-b]indol-5-ylbenzene-1,3-diamine
CID 135131209
8-[2,6-bis(3,6-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,12-dimethyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,6-bis(3,6-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160536422
5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
CID 176634513
N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
CID 160597279
10-[2,6-di(carbazol-9-yl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenothiazine
CID 135131126
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 166913227
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 129221830
5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587723
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590
5-(2,6-diphenylpyrimidin-4-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 138612471
5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine
CID 135131110

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine (CID 135131249) is 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine is c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ncccc54)c(N4c5ccccc5Oc5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine?
The InChIKey is ISZQAGQJJDSVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N7O/c1-3-17-36(18-4-1)41-35-42(60-56(59-41)37-19-5-2-6-20-37)38-33-49(61-43-23-9-7-21-39(43)53-47(61)27-15-31-57-53)55(63-45-25-11-13-29-51(45)64-52-30-14-12-26-46(52)63)50(34-38)62-44-24-10-8-22-40(44)54-48(62)28-16-32-58-54/h1-35H.
What are the key properties of 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine?
10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine has a molecular weight of 821.94 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine is sourced from PubChem (CID 135131249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).