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

C89H58BrN3S2 — CID 159415083

IUPAC4-(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
SMILESBrc1ccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)cc4)cccc23)cc1.c1ccc(-n2ccc3c4c(ccc32)-c2ccccc2C4)cc1
InChIInChI=1S/C44H28N2S.C24H15BrS.C21H15N/c1-3-11-29(12-4-1)33-16-9-18-37-38-19-10-17-34(44(38)47-43(33)37)30-21-23-32(24-22-30)46-41-20-8-7-15-35(41)36-25-26-40-39(42(36)46)27-28-45(40)31-13-5-2-6-14-31;25-18-14-12-17(13-15-18)20-9-5-11-22-21-10-4-8-19(23(21)26-24(20)22)16-6-2-1-3-7-16;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/h1-28H;1-15H;1-13H,14H2
InChIKeyLPBFHALJDPKFAV-UHFFFAOYSA-N
MW1313.50 g/mol
LogP25.78
Rot. Bonds7

About 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

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 (PubChem CID 159415083) has the molecular formula C89H58BrN3S2 and a molecular weight of 1313.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID159415083
Molecular FormulaC89H58BrN3S2
Molecular Weight1313.50 g/mol
Exact Mass1311.33
IUPAC Name4-(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
SMILESBrc1ccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)cc4)cccc23)cc1.c1ccc(-n2ccc3c4c(ccc32)-c2ccccc2C4)cc1
InChIInChI=1S/C44H28N2S.C24H15BrS.C21H15N/c1-3-11-29(12-4-1)33-16-9-18-37-38-19-10-17-34(44(38)47-43(33)37)30-21-23-32(24-22-30)46-41-20-8-7-15-35(41)36-25-26-40-39(42(36)46)27-28-45(40)31-13-5-2-6-14-31;25-18-14-12-17(13-15-18)20-9-5-11-22-21-10-4-8-19(23(21)26-24(20)22)16-6-2-1-3-7-16;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/h1-28H;1-15H;1-13H,14H2
InChIKeyLPBFHALJDPKFAV-UHFFFAOYSA-N
XLogP25.78
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001313.50
LogP ≤ 525.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
3-phenyl-10-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyrrolo[3,2-a]carbazole
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10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
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10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 118316007
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314953
12-[3-[4-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167337151
10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole
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15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 158856907
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)cc4)cccc23)cc1.c1ccc(-n2ccc3c4c(ccc32)-c2ccccc2C4)cc1.
What is the InChIKey of 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?
The InChIKey is LPBFHALJDPKFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S.C24H15BrS.C21H15N/c1-3-11-29(12-4-1)33-16-9-18-37-38-19-10-17-34(44(38)47-43(33)37)30-21-23-32(24-22-30)46-41-20-8-7-15-35(41)36-25-26-40-39(42(36)46)27-28-45(40)31-13-5-2-6-14-31;25-18-14-12-17(13-15-18)20-9-5-11-22-21-10-4-8-19(23(21)26-24(20)22)16-6-2-1-3-7-16;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/h1-28H;1-15H;1-13H,14H2.
What are the key properties of 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?
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 has a molecular weight of 1313.50 g/mol, XLogP of 25.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159415083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).