7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine

C59H43N — CID 59183936

IUPAC7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)c5c4cnc4ccccc45)c3)cc21
InChIInChI=1S/C59H43N/c1-58(2)50-24-10-7-19-42(50)44-29-27-38(33-52(44)58)36-15-13-17-40(31-36)55-46-21-5-6-22-47(46)56(57-48-23-9-12-26-54(48)60-35-49(55)57)41-18-14-16-37(32-41)39-28-30-45-43-20-8-11-25-51(43)59(3,4)53(45)34-39/h5-35H,1-4H3
InChIKeyADSGQFRMEZQYCA-UHFFFAOYSA-N
MW766.00 g/mol
LogP15.82
Rot. Bonds4

About 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine

7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine (PubChem CID 59183936) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine.

Molecular Properties

Compound Name7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine
PubChem CID59183936
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC Name7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)c5c4cnc4ccccc45)c3)cc21
InChIInChI=1S/C59H43N/c1-58(2)50-24-10-7-19-42(50)44-29-27-38(33-52(44)58)36-15-13-17-40(31-36)55-46-21-5-6-22-47(46)56(57-48-23-9-12-26-54(48)60-35-49(55)57)41-18-14-16-37(32-41)39-28-30-45-43-20-8-11-25-51(43)59(3,4)53(45)34-39/h5-35H,1-4H3
InChIKeyADSGQFRMEZQYCA-UHFFFAOYSA-N
XLogP15.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine 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

7,12-bis[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[j]phenanthridine
CID 59183754
7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine
CID 59183083
7-[9,9-dimethyl-7-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)fluoren-2-yl]-12-naphthalen-2-ylbenzo[j]phenanthridine
CID 59182996
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
CID 154533323
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene
CID 20822374
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824

Frequently Asked Questions

What is the IUPAC name of 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine?
The IUPAC name of 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine (CID 59183936) is 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine.
What is the SMILES notation for 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine?
The canonical SMILES for 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)c5c4cnc4ccccc45)c3)cc21.
What is the InChIKey of 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine?
The InChIKey is ADSGQFRMEZQYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-58(2)50-24-10-7-19-42(50)44-29-27-38(33-52(44)58)36-15-13-17-40(31-36)55-46-21-5-6-22-47(46)56(57-48-23-9-12-26-54(48)60-35-49(55)57)41-18-14-16-37(32-41)39-28-30-45-43-20-8-11-25-51(43)59(3,4)53(45)34-39/h5-35H,1-4H3.
What are the key properties of 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine?
7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine has a molecular weight of 766.00 g/mol, XLogP of 15.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine is sourced from PubChem (CID 59183936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).