3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole

C67H41N — CID 118475131

IUPAC3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole
SMILESc1ccc2c(c1)cc(-c1ccc3c(c1)Cc1cc(-n4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5cc(-c6cc7ccccc7c7ccccc67)ccc54)ccc1-3)c1ccccc12
InChIInChI=1S/C67H41N/c1-4-16-50-41(13-1)36-61(58-22-10-7-19-55(50)58)44-25-29-53-47(33-44)34-48-35-49(28-30-54(48)53)68-66-31-26-45(62-37-42-14-2-5-17-51(42)56-20-8-11-23-59(56)62)39-64(66)65-40-46(27-32-67(65)68)63-38-43-15-3-6-18-52(43)57-21-9-12-24-60(57)63/h1-33,35-40H,34H2
InChIKeyJPXVOJSLJLRQLP-UHFFFAOYSA-N
MW860.07 g/mol
LogP18.28
Rot. Bonds4

About 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole

3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole (PubChem CID 118475131) has the molecular formula C67H41N and a molecular weight of 860.07 g/mol. Its IUPAC name is 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole.

Molecular Properties

Compound Name3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole
PubChem CID118475131
Molecular FormulaC67H41N
Molecular Weight860.07 g/mol
Exact Mass859.32
IUPAC Name3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole
SMILESc1ccc2c(c1)cc(-c1ccc3c(c1)Cc1cc(-n4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5cc(-c6cc7ccccc7c7ccccc67)ccc54)ccc1-3)c1ccccc12
InChIInChI=1S/C67H41N/c1-4-16-50-41(13-1)36-61(58-22-10-7-19-55(50)58)44-25-29-53-47(33-44)34-48-35-49(28-30-54(48)53)68-66-31-26-45(62-37-42-14-2-5-17-51(42)56-20-8-11-23-59(56)62)39-64(66)65-40-46(27-32-67(65)68)63-38-43-15-3-6-18-52(43)57-21-9-12-24-60(57)63/h1-33,35-40H,34H2
InChIKeyJPXVOJSLJLRQLP-UHFFFAOYSA-N
XLogP18.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.07
LogP ≤ 518.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole 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

9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
CID 118475080
3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole
CID 118475163
9-(7-naphthalen-1-yl-9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475106
9-(9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475206
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
9-(5,5-dimethyl-7-phenanthren-9-yldibenzothiophen-3-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 144938397
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 163655943
3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
CID 126753402

Frequently Asked Questions

What is the IUPAC name of 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole?
The IUPAC name of 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole (CID 118475131) is 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole.
What is the SMILES notation for 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole?
The canonical SMILES for 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole is c1ccc2c(c1)cc(-c1ccc3c(c1)Cc1cc(-n4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5cc(-c6cc7ccccc7c7ccccc67)ccc54)ccc1-3)c1ccccc12.
What is the InChIKey of 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole?
The InChIKey is JPXVOJSLJLRQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N/c1-4-16-50-41(13-1)36-61(58-22-10-7-19-55(50)58)44-25-29-53-47(33-44)34-48-35-49(28-30-54(48)53)68-66-31-26-45(62-37-42-14-2-5-17-51(42)56-20-8-11-23-59(56)62)39-64(66)65-40-46(27-32-67(65)68)63-38-43-15-3-6-18-52(43)57-21-9-12-24-60(57)63/h1-33,35-40H,34H2.
What are the key properties of 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole?
3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole has a molecular weight of 860.07 g/mol, XLogP of 18.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole is sourced from PubChem (CID 118475131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).