N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine

C38H27N3 — CID 144705666

IUPACN-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine
SMILESC=Nc1ccccc1N1Cc2c(ccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c23)-c2ccccc21
InChIInChI=1S/C38H27N3/c1-39-34-18-7-10-21-37(34)40-25-33-29(30-16-5-8-19-35(30)40)22-23-32-31-17-6-9-20-36(31)41(38(32)33)28-15-11-14-27(24-28)26-12-3-2-4-13-26/h2-24H,1,25H2
InChIKeyGTQQJWMULYLSCF-UHFFFAOYSA-N
MW525.66 g/mol
LogP10.10
Rot. Bonds4

About N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine

N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine (PubChem CID 144705666) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine
PubChem CID144705666
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC NameN-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine
SMILESC=Nc1ccccc1N1Cc2c(ccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c23)-c2ccccc21
InChIInChI=1S/C38H27N3/c1-39-34-18-7-10-21-37(34)40-25-33-29(30-16-5-8-19-35(30)40)22-23-32-31-17-6-9-20-36(31)41(38(32)33)28-15-11-14-27(24-28)26-12-3-2-4-13-26/h2-24H,1,25H2
InChIKeyGTQQJWMULYLSCF-UHFFFAOYSA-N
XLogP10.10
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine
CID 144705628
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
N-[2-[9-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-5H-benzo[i][1,9]phenanthrolin-6-yl]phenyl]methanimine
CID 144508239
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
N-[2-[10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,14-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,16,18,20-nonaen-14-yl]phenyl]methanimine
CID 144705717
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine
CID 170195562
N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine
CID 144705620
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 155241041
2-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315065

Frequently Asked Questions

What is the IUPAC name of N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine?
The IUPAC name of N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine (CID 144705666) is N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine.
What is the SMILES notation for N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine?
The canonical SMILES for N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine is C=Nc1ccccc1N1Cc2c(ccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c23)-c2ccccc21.
What is the InChIKey of N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine?
The InChIKey is GTQQJWMULYLSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3/c1-39-34-18-7-10-21-37(34)40-25-33-29(30-16-5-8-19-35(30)40)22-23-32-31-17-6-9-20-36(31)41(38(32)33)28-15-11-14-27(24-28)26-12-3-2-4-13-26/h2-24H,1,25H2.
What are the key properties of N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine?
N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine has a molecular weight of 525.66 g/mol, XLogP of 10.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine is sourced from PubChem (CID 144705666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).