3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane

C88H66BrN3 — CID 158577516

IUPAC3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1.C.c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C43H30N2.C26H20.C18H12BrN.CH4/c1-4-16-31(17-5-1)43(32-18-6-2-7-19-32)37-23-11-14-26-41(37)45(42-27-15-12-24-38(42)43)34-28-29-40-36(30-34)35-22-10-13-25-39(35)44(40)33-20-8-3-9-21-33;1-3-13-22(14-4-1)26(23-15-5-2-6-16-23)24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;/h1-30H;1-18H,19H2;1-12H;1H4
InChIKeyHSVNKSLXOORICT-UHFFFAOYSA-N
MW1245.42 g/mol
LogP23.11
Rot. Bonds7

About 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane

3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane (PubChem CID 158577516) has the molecular formula C88H66BrN3 and a molecular weight of 1245.42 g/mol. Its IUPAC name is 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane.

Molecular Properties

Compound Name3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane
PubChem CID158577516
Molecular FormulaC88H66BrN3
Molecular Weight1245.42 g/mol
Exact Mass1243.44
IUPAC Name3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1.C.c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C43H30N2.C26H20.C18H12BrN.CH4/c1-4-16-31(17-5-1)43(32-18-6-2-7-19-32)37-23-11-14-26-41(37)45(42-27-15-12-24-38(42)43)34-28-29-40-36(30-34)35-22-10-13-25-39(35)44(40)33-20-8-3-9-21-33;1-3-13-22(14-4-1)26(23-15-5-2-6-16-23)24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;/h1-30H;1-18H,19H2;1-12H;1H4
InChIKeyHSVNKSLXOORICT-UHFFFAOYSA-N
XLogP23.11
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.42
LogP ≤ 523.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
7-bromo-1,10-diphenylpyrrolo[2,3-a]carbazole;7-(9,9-dimethylacridin-10-yl)-1,10-diphenylpyrrolo[2,3-a]carbazole;10,10-dimethyl-9H-anthracene
CID 159521590
3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole
CID 102125302
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
CID 153463100
2-bromo-9-phenyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167214778
10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine
CID 59470098
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]
CID 139574635
10-(2-bromophenyl)-9,9-diphenylacridine;deuterium monohydride;9-[2-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridin-9-ol;methane;10-phenylacridin-9-one
CID 159200012

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane?
The IUPAC name of 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane (CID 158577516) is 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane.
What is the SMILES notation for 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane?
The canonical SMILES for 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane is Brc1ccc2c(c1)c1ccccc1n2-c1ccccc1.C.c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane?
The InChIKey is HSVNKSLXOORICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2.C26H20.C18H12BrN.CH4/c1-4-16-31(17-5-1)43(32-18-6-2-7-19-32)37-23-11-14-26-41(37)45(42-27-15-12-24-38(42)43)34-28-29-40-36(30-34)35-22-10-13-25-39(35)44(40)33-20-8-3-9-21-33;1-3-13-22(14-4-1)26(23-15-5-2-6-16-23)24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;/h1-30H;1-18H,19H2;1-12H;1H4.
What are the key properties of 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane?
3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane has a molecular weight of 1245.42 g/mol, XLogP of 23.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane is sourced from PubChem (CID 158577516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).