9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole

C48H27F4N3 — CID 59306683

IUPAC9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(-n6c7ccc(F)cc7c7cc(F)ccc76)cc5)cc4c3c2)cc1
InChIInChI=1S/C48H27F4N3/c49-31-7-17-45-39(23-31)40-24-32(50)8-18-46(40)54(45)35-11-1-27(2-12-35)29-5-15-43-37(21-29)38-22-30(6-16-44(38)53-43)28-3-13-36(14-4-28)55-47-19-9-33(51)25-41(47)42-26-34(52)10-20-48(42)55/h1-26,53H
InChIKeyJHTLRUVNXSQEFW-UHFFFAOYSA-N
MW721.76 g/mol
LogP13.41
Rot. Bonds4

About 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole

9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole (PubChem CID 59306683) has the molecular formula C48H27F4N3 and a molecular weight of 721.76 g/mol. Its IUPAC name is 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole.

Molecular Properties

Compound Name9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole
PubChem CID59306683
Molecular FormulaC48H27F4N3
Molecular Weight721.76 g/mol
Exact Mass721.21
IUPAC Name9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(-n6c7ccc(F)cc7c7cc(F)ccc76)cc5)cc4c3c2)cc1
InChIInChI=1S/C48H27F4N3/c49-31-7-17-45-39(23-31)40-24-32(50)8-18-46(40)54(45)35-11-1-27(2-12-35)29-5-15-43-37(21-29)38-22-30(6-16-44(38)53-43)28-3-13-36(14-4-28)55-47-19-9-33(51)25-41(47)42-26-34(52)10-20-48(42)55/h1-26,53H
InChIKeyJHTLRUVNXSQEFW-UHFFFAOYSA-N
XLogP13.41
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.76
LogP ≤ 513.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole?
The IUPAC name of 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole (CID 59306683) is 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole.
What is the SMILES notation for 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole?
The canonical SMILES for 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(-n6c7ccc(F)cc7c7cc(F)ccc76)cc5)cc4c3c2)cc1.
What is the InChIKey of 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole?
The InChIKey is JHTLRUVNXSQEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27F4N3/c49-31-7-17-45-39(23-31)40-24-32(50)8-18-46(40)54(45)35-11-1-27(2-12-35)29-5-15-43-37(21-29)38-22-30(6-16-44(38)53-43)28-3-13-36(14-4-28)55-47-19-9-33(51)25-41(47)42-26-34(52)10-20-48(42)55/h1-26,53H.
What are the key properties of 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole?
9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole has a molecular weight of 721.76 g/mol, XLogP of 13.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[4-(3,6-difluorocarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]-3,6-difluorocarbazole is sourced from PubChem (CID 59306683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).