3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine

C58H37N3 — CID 170530732

IUPAC3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c6ccccc6n6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cnc6c5c4)cc32)cc1
InChIInChI=1S/C58H37N3/c1-3-15-41(16-4-1)58(42-17-5-2-6-18-42)51-23-11-7-19-45(51)46-34-30-40(36-52(46)58)39-29-33-44-47-20-8-14-26-55(47)61-56(37-59-57(61)50(44)35-39)38-27-31-43(32-28-38)60-53-24-12-9-21-48(53)49-22-10-13-25-54(49)60/h1-37H
InChIKeyNIJUSOZUOSYRCR-UHFFFAOYSA-N
MW775.96 g/mol
LogP14.43
Rot. Bonds5

About 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine

3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine (PubChem CID 170530732) has the molecular formula C58H37N3 and a molecular weight of 775.96 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine
PubChem CID170530732
Molecular FormulaC58H37N3
Molecular Weight775.96 g/mol
Exact Mass775.30
IUPAC Name3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c6ccccc6n6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cnc6c5c4)cc32)cc1
InChIInChI=1S/C58H37N3/c1-3-15-41(16-4-1)58(42-17-5-2-6-18-42)51-23-11-7-19-45(51)46-34-30-40(36-52(46)58)39-29-33-44-47-20-8-14-26-55(47)61-56(37-59-57(61)50(44)35-39)38-27-31-43(32-28-38)60-53-24-12-9-21-48(53)49-22-10-13-25-54(49)60/h1-37H
InChIKeyNIJUSOZUOSYRCR-UHFFFAOYSA-N
XLogP14.43
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.96
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole
CID 59307089
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
[3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588499
3-[4-[(E)-2-[7'-[9,9-diphenyl-7-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]fluoren-2-yl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236244
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine (CID 170530732) is 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c6ccccc6n6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cnc6c5c4)cc32)cc1.
What is the InChIKey of 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine?
The InChIKey is NIJUSOZUOSYRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3/c1-3-15-41(16-4-1)58(42-17-5-2-6-18-42)51-23-11-7-19-45(51)46-34-30-40(36-52(46)58)39-29-33-44-47-20-8-14-26-55(47)61-56(37-59-57(61)50(44)35-39)38-27-31-43(32-28-38)60-53-24-12-9-21-48(53)49-22-10-13-25-54(49)60/h1-37H.
What are the key properties of 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine?
3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine has a molecular weight of 775.96 g/mol, XLogP of 14.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 170530732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).