7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile

C60H39N3 — CID 134595963

IUPAC7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile
SMILESCc1c2c(-c3ccccc3)nc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(C#N)ccc4-5)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C60H39N3/c1-37-54-48-25-15-16-26-52(48)62-58(40-17-7-3-8-18-40)56(54)38(2)55-49-32-29-43(35-53(49)63-59(57(37)55)41-19-9-4-10-20-41)42-28-31-47-46-30-27-39(36-61)33-50(46)60(51(47)34-42,44-21-11-5-12-22-44)45-23-13-6-14-24-45/h3-35H,1-2H3
InChIKeyJRBMIJYRJQXLMD-UHFFFAOYSA-N
MW801.99 g/mol
LogP14.94
Rot. Bonds5

About 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile

7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile (PubChem CID 134595963) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile.

Molecular Properties

Compound Name7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile
PubChem CID134595963
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile
SMILESCc1c2c(-c3ccccc3)nc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(C#N)ccc4-5)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C60H39N3/c1-37-54-48-25-15-16-26-52(48)62-58(40-17-7-3-8-18-40)56(54)38(2)55-49-32-29-43(35-53(49)63-59(57(37)55)41-19-9-4-10-20-41)42-28-31-47-46-30-27-39(36-61)33-50(46)60(51(47)34-42,44-21-11-5-12-22-44)45-23-13-6-14-24-45/h3-35H,1-2H3
InChIKeyJRBMIJYRJQXLMD-UHFFFAOYSA-N
XLogP14.94
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9-diphenyl-7-(13-phenyl-12-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-16-yl)fluorene-2-carbonitrile
CID 129183030
7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine
CID 134595966
9,9-diphenyl-7-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 158885257
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 162776206
9,9-dimethyl-7-(10-phenyl-29-oxa-9-azaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.020,25]nonacosa-1(18),2(11),3(8),4,6,9,12,14,16,19(28),20,22,24,26-tetradecaen-6-yl)fluorene-2-carbonitrile
CID 129119574
7'-(14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 129119440
9,9-dimethyl-7-(14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)fluorene-2-carbonitrile
CID 129119500
9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
CID 155767759
7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134595893
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 139522997
3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591983
7-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 138605696

Frequently Asked Questions

What is the IUPAC name of 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile?
The IUPAC name of 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile (CID 134595963) is 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile.
What is the SMILES notation for 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile?
The canonical SMILES for 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile is Cc1c2c(-c3ccccc3)nc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(C#N)ccc4-5)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.
What is the InChIKey of 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile?
The InChIKey is JRBMIJYRJQXLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-37-54-48-25-15-16-26-52(48)62-58(40-17-7-3-8-18-40)56(54)38(2)55-49-32-29-43(35-53(49)63-59(57(37)55)41-19-9-4-10-20-41)42-28-31-47-46-30-27-39(36-61)33-50(46)60(51(47)34-42,44-21-11-5-12-22-44)45-23-13-6-14-24-45/h3-35H,1-2H3.
What are the key properties of 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile?
7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile has a molecular weight of 801.99 g/mol, XLogP of 14.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile is sourced from PubChem (CID 134595963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).