5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine

C61H40N2 — CID 170195562

IUPAC5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine
SMILESc1ccc(-c2cccc(N3Cc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc4-c4ccccc43)c2)cc1
InChIInChI=1S/C61H40N2/c1-2-14-40(15-3-1)41-16-12-18-47(34-41)62-39-46-29-28-43(36-56(46)54-24-8-10-26-59(54)62)45-31-33-61-58(38-45)55-25-9-11-27-60(55)63(61)48-19-13-17-42(35-48)44-30-32-53-51-22-5-4-20-49(51)50-21-6-7-23-52(50)57(53)37-44/h1-38H,39H2
InChIKeyFYJFHVZDIVFHFS-UHFFFAOYSA-N
MW801.01 g/mol
LogP16.56
Rot. Bonds5

About 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine

5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine (PubChem CID 170195562) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine.

Molecular Properties

Compound Name5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine
PubChem CID170195562
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine
SMILESc1ccc(-c2cccc(N3Cc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc4-c4ccccc43)c2)cc1
InChIInChI=1S/C61H40N2/c1-2-14-40(15-3-1)41-16-12-18-47(34-41)62-39-46-29-28-43(36-56(46)54-24-8-10-26-59(54)62)45-31-33-61-58(38-45)55-25-9-11-27-60(55)63(61)48-19-13-17-42(35-48)44-30-32-53-51-22-5-4-20-49(51)50-21-6-7-23-52(50)57(53)37-44/h1-38H,39H2
InChIKeyFYJFHVZDIVFHFS-UHFFFAOYSA-N
XLogP16.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine
CID 170245604
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590633
3-[9-(2-phenylphenyl)carbazol-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 142315053
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 160721825
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590420
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
3-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315055

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine?
The IUPAC name of 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine (CID 170195562) is 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine.
What is the SMILES notation for 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine?
The canonical SMILES for 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine is c1ccc(-c2cccc(N3Cc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc4-c4ccccc43)c2)cc1.
What is the InChIKey of 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine?
The InChIKey is FYJFHVZDIVFHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-2-14-40(15-3-1)41-16-12-18-47(34-41)62-39-46-29-28-43(36-56(46)54-24-8-10-26-59(54)62)45-31-33-61-58(38-45)55-25-9-11-27-60(55)63(61)48-19-13-17-42(35-48)44-30-32-53-51-22-5-4-20-49(51)50-21-6-7-23-52(50)57(53)37-44/h1-38H,39H2.
What are the key properties of 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine?
5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine has a molecular weight of 801.01 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine is sourced from PubChem (CID 170195562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).