3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole

C50H34BrNO — CID 123277843

IUPAC3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole
SMILESBrC1=C2c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4CC5c4ccccc4)ccc3OC2CC=C1
InChIInChI=1S/C50H34BrNO/c51-45-15-9-17-49-50(45)44-29-35(22-25-48(44)53-49)33-20-23-38-40(31-10-3-1-4-11-31)30-36-19-18-32(26-41(36)42(38)27-33)34-21-24-47-43(28-34)39-14-7-8-16-46(39)52(47)37-12-5-2-6-13-37/h1-16,18-29,40,49H,17,30H2
InChIKeyHXUNXSBADJLGGF-UHFFFAOYSA-N
MW744.73 g/mol
LogP13.30
Rot. Bonds4

About 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole

3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole (PubChem CID 123277843) has the molecular formula C50H34BrNO and a molecular weight of 744.73 g/mol. Its IUPAC name is 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole
PubChem CID123277843
Molecular FormulaC50H34BrNO
Molecular Weight744.73 g/mol
Exact Mass743.18
IUPAC Name3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole
SMILESBrC1=C2c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4CC5c4ccccc4)ccc3OC2CC=C1
InChIInChI=1S/C50H34BrNO/c51-45-15-9-17-49-50(45)44-29-35(22-25-48(44)53-49)33-20-23-38-40(31-10-3-1-4-11-31)30-36-19-18-32(26-41(36)42(38)27-33)34-21-24-47-43(28-34)39-14-7-8-16-46(39)52(47)37-12-5-2-6-13-37/h1-16,18-29,40,49H,17,30H2
InChIKeyHXUNXSBADJLGGF-UHFFFAOYSA-N
XLogP13.30
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.73
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one
CID 145050072
3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
CID 167289243
9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475
9-naphthalen-2-yl-3-[10-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195500
3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 126728057
3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole
CID 167289275
3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole
CID 169131711
21-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenyl-9,10-dihydrophenanthren-3-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170343451
14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene
CID 146300888
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 170078460
9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole
CID 170249371

Frequently Asked Questions

What is the IUPAC name of 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole (CID 123277843) is 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole is BrC1=C2c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4CC5c4ccccc4)ccc3OC2CC=C1.
What is the InChIKey of 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole?
The InChIKey is HXUNXSBADJLGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34BrNO/c51-45-15-9-17-49-50(45)44-29-35(22-25-48(44)53-49)33-20-23-38-40(31-10-3-1-4-11-31)30-36-19-18-32(26-41(36)42(38)27-33)34-21-24-47-43(28-34)39-14-7-8-16-46(39)52(47)37-12-5-2-6-13-37/h1-16,18-29,40,49H,17,30H2.
What are the key properties of 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole?
3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole has a molecular weight of 744.73 g/mol, XLogP of 13.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 123277843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).