7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline

C62H39N5 — CID 156551752

IUPAC7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6c7ccccc7nc(-c7ccc8ccc9ccccc9c8c7)c65)cc4)n3)cc2)cc1
InChIInChI=1S/C62H39N5/c1-3-13-40(14-4-1)42-23-30-46(31-24-42)60-64-61(47-32-25-43(26-33-47)41-15-5-2-6-16-41)66-62(65-60)48-35-37-50(38-36-48)67-56-22-12-10-20-53(56)57-52-19-9-11-21-55(52)63-58(59(57)67)49-34-29-45-28-27-44-17-7-8-18-51(44)54(45)39-49/h1-39H
InChIKeyCZDMCIBGWOPSHX-UHFFFAOYSA-N
MW854.03 g/mol
LogP15.83
Rot. Bonds7

About 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline

7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline (PubChem CID 156551752) has the molecular formula C62H39N5 and a molecular weight of 854.03 g/mol. Its IUPAC name is 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline.

Molecular Properties

Compound Name7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline
PubChem CID156551752
Molecular FormulaC62H39N5
Molecular Weight854.03 g/mol
Exact Mass853.32
IUPAC Name7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6c7ccccc7nc(-c7ccc8ccc9ccccc9c8c7)c65)cc4)n3)cc2)cc1
InChIInChI=1S/C62H39N5/c1-3-13-40(14-4-1)42-23-30-46(31-24-42)60-64-61(47-32-25-43(26-33-47)41-15-5-2-6-16-41)66-62(65-60)48-35-37-50(38-36-48)67-56-22-12-10-20-53(56)57-52-19-9-11-21-55(52)63-58(59(57)67)49-34-29-45-28-27-44-17-7-8-18-51(44)54(45)39-49/h1-39H
InChIKeyCZDMCIBGWOPSHX-UHFFFAOYSA-N
XLogP15.83
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.03
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-phenyl-7-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-c]quinoline
CID 156551716
6-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylindolo[2,3-c]quinoline
CID 156551653
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenanthren-3-ylindolo[3,2-c]quinoline
CID 156551590
7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551745
11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline
CID 146480993
6-[4-[4-[6-[4-[6-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinolin-11-yl]phenyl]phenanthren-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[4-[10-[4-[4-phenyl-6-[4-(11-phenylindolo[3,2-c]quinolin-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenanthren-3-yl]phenyl]indolo[3,2-c]quinoline
CID 146481116
11-[4-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109348
6-phenyl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]quinoline;6-phenyl-11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinoline
CID 159724561
7-phenyl-6-[2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551768
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 169037222
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
11-[4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;11-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;methane
CID 158015741

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline?
The IUPAC name of 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline (CID 156551752) is 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline.
What is the SMILES notation for 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline?
The canonical SMILES for 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6c7ccccc7nc(-c7ccc8ccc9ccccc9c8c7)c65)cc4)n3)cc2)cc1.
What is the InChIKey of 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline?
The InChIKey is CZDMCIBGWOPSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N5/c1-3-13-40(14-4-1)42-23-30-46(31-24-42)60-64-61(47-32-25-43(26-33-47)41-15-5-2-6-16-41)66-62(65-60)48-35-37-50(38-36-48)67-56-22-12-10-20-53(56)57-52-19-9-11-21-55(52)63-58(59(57)67)49-34-29-45-28-27-44-17-7-8-18-51(44)54(45)39-49/h1-39H.
What are the key properties of 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline?
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline has a molecular weight of 854.03 g/mol, XLogP of 15.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline is sourced from PubChem (CID 156551752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).