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

C83H64BrN5 — CID 159521590

IUPAC7-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
SMILESBrc1ccc2c(c1)c1ccc3ccn(-c4ccccc4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccc4ccn(-c5ccccc5)c4c2n3-c2ccccc2)c2ccccc21
InChIInChI=1S/C41H31N3.C26H17BrN2.C16H16/c1-41(2)34-17-9-11-19-37(34)43(38-20-12-10-18-35(38)41)31-22-24-36-33(27-31)32-23-21-28-25-26-42(29-13-5-3-6-14-29)39(28)40(32)44(36)30-15-7-4-8-16-30;27-19-12-14-24-23(17-19)22-13-11-18-15-16-28(20-7-3-1-4-8-20)25(18)26(22)29(24)21-9-5-2-6-10-21;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-27H,1-2H3;1-17H;3-10H,11H2,1-2H3
InChIKeyMBWGRUJVSIQYAV-UHFFFAOYSA-N
MW1211.36 g/mol
LogP22.24
Rot. Bonds5

About 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

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 (PubChem CID 159521590) has the molecular formula C83H64BrN5 and a molecular weight of 1211.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID159521590
Molecular FormulaC83H64BrN5
Molecular Weight1211.36 g/mol
Exact Mass1209.43
IUPAC Name7-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
SMILESBrc1ccc2c(c1)c1ccc3ccn(-c4ccccc4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccc4ccn(-c5ccccc5)c4c2n3-c2ccccc2)c2ccccc21
InChIInChI=1S/C41H31N3.C26H17BrN2.C16H16/c1-41(2)34-17-9-11-19-37(34)43(38-20-12-10-18-35(38)41)31-22-24-36-33(27-31)32-23-21-28-25-26-42(29-13-5-3-6-14-29)39(28)40(32)44(36)30-15-7-4-8-16-30;27-19-12-14-24-23(17-19)22-13-11-18-15-16-28(20-7-3-1-4-8-20)25(18)26(22)29(24)21-9-5-2-6-10-21;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-27H,1-2H3;1-17H;3-10H,11H2,1-2H3
InChIKeyMBWGRUJVSIQYAV-UHFFFAOYSA-N
XLogP22.24
TPSA22.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001211.36
LogP ≤ 522.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane
CID 158577516
10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine
CID 164974789
9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole
CID 118315064
CID 159023191
CID 159023191
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
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-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315612
6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 118315296
7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole
CID 118316090
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
3-bromo-9-(1-phenylindol-6-yl)carbazole
CID 122666252
15-phenyl-9-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 144645343

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2c(c1)c1ccc3ccn(-c4ccccc4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccc4ccn(-c5ccccc5)c4c2n3-c2ccccc2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is MBWGRUJVSIQYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3.C26H17BrN2.C16H16/c1-41(2)34-17-9-11-19-37(34)43(38-20-12-10-18-35(38)41)31-22-24-36-33(27-31)32-23-21-28-25-26-42(29-13-5-3-6-14-29)39(28)40(32)44(36)30-15-7-4-8-16-30;27-19-12-14-24-23(17-19)22-13-11-18-15-16-28(20-7-3-1-4-8-20)25(18)26(22)29(24)21-9-5-2-6-10-21;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-27H,1-2H3;1-17H;3-10H,11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1211.36 g/mol, XLogP of 22.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159521590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).