10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine

C77H52BrN5O2 — CID 159359140

IUPAC10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine
SMILESBrc1cccc(N2c3ccccc3Oc3ccccc32)c1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)c23)cc1.c1ccc(-n2ccc3c4c(ccc32)-c2ccccc2C4)cc1
InChIInChI=1S/C38H25N3O.C21H15N.C18H12BrNO/c1-2-11-26(12-3-1)39-24-23-31-32(39)22-21-30-29-15-4-5-16-33(29)41(38(30)31)28-14-10-13-27(25-28)40-34-17-6-8-19-36(34)42-37-20-9-7-18-35(37)40;1-2-7-16(8-3-1)22-13-12-19-20-14-15-6-4-5-9-17(15)18(20)10-11-21(19)22;19-13-6-5-7-14(12-13)20-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)20/h1-25H;1-13H,14H2;1-12H
InChIKeyLIHRSKPUXYUUHI-UHFFFAOYSA-N
MW1159.20 g/mol
LogP21.53
Rot. Bonds5

About 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine

10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine (PubChem CID 159359140) has the molecular formula C77H52BrN5O2 and a molecular weight of 1159.20 g/mol. Its IUPAC name is 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine
PubChem CID159359140
Molecular FormulaC77H52BrN5O2
Molecular Weight1159.20 g/mol
Exact Mass1157.33
IUPAC Name10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine
SMILESBrc1cccc(N2c3ccccc3Oc3ccccc32)c1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)c23)cc1.c1ccc(-n2ccc3c4c(ccc32)-c2ccccc2C4)cc1
InChIInChI=1S/C38H25N3O.C21H15N.C18H12BrNO/c1-2-11-26(12-3-1)39-24-23-31-32(39)22-21-30-29-15-4-5-16-33(29)41(38(30)31)28-14-10-13-27(25-28)40-34-17-6-8-19-36(34)42-37-20-9-7-18-35(37)40;1-2-7-16(8-3-1)22-13-12-19-20-14-15-6-4-5-9-17(15)18(20)10-11-21(19)22;19-13-6-5-7-14(12-13)20-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)20/h1-25H;1-13H,14H2;1-12H
InChIKeyLIHRSKPUXYUUHI-UHFFFAOYSA-N
XLogP21.53
TPSA39.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.20
LogP ≤ 521.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-bromophenyl)-6-phenyldibenzothiophene;3-phenyl-10H-indeno[2,1-e]indole;3-phenyl-10-[4-(6-phenyldibenzothiophen-4-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 159415083
22-phenyl-8-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 118685156
3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine
CID 159199843
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole
CID 144815944
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
5-[7-(9H-fluoren-3-yl)-9H-fluoren-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 170285170
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
1-bromo-3-fluorobenzene;9-(3-bromophenyl)carbazole;9H-fluorene
CID 158559593
3-[3-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole;3-(4-diphenylphosphorylphenyl)-10-phenylpyrrolo[3,2-a]carbazole;10-phenyl-3-[4-(10-phenylphenazin-5-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 161222187
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429

Frequently Asked Questions

What is the IUPAC name of 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine?
The IUPAC name of 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine (CID 159359140) is 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine?
The canonical SMILES for 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine is Brc1cccc(N2c3ccccc3Oc3ccccc32)c1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)c23)cc1.c1ccc(-n2ccc3c4c(ccc32)-c2ccccc2C4)cc1.
What is the InChIKey of 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine?
The InChIKey is LIHRSKPUXYUUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O.C21H15N.C18H12BrNO/c1-2-11-26(12-3-1)39-24-23-31-32(39)22-21-30-29-15-4-5-16-33(29)41(38(30)31)28-14-10-13-27(25-28)40-34-17-6-8-19-36(34)42-37-20-9-7-18-35(37)40;1-2-7-16(8-3-1)22-13-12-19-20-14-15-6-4-5-9-17(15)18(20)10-11-21(19)22;19-13-6-5-7-14(12-13)20-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)20/h1-25H;1-13H,14H2;1-12H.
What are the key properties of 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine?
10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine has a molecular weight of 1159.20 g/mol, XLogP of 21.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-bromophenyl)phenoxazine;3-phenyl-10H-indeno[2,1-e]indole;10-[3-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phenoxazine is sourced from PubChem (CID 159359140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).