6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole

C65H42F3N3 — CID 88891265

IUPAC6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole
SMILESCc1cccc(-c2c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)c6ccncc6n7-c6ccc7ccccc7c6)nc5)c5ccccc45)cc3c(-c3cccc(C)c3)c3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C65H42F3N3/c1-39-10-7-14-45(32-39)62-54-25-21-43(35-57(54)63(46-15-8-11-40(2)33-46)64-55(62)18-9-19-58(64)65(66,67)68)49-26-27-50(52-17-6-5-16-51(49)52)47-22-28-59(70-37-47)44-23-29-60-56(36-44)53-30-31-69-38-61(53)71(60)48-24-20-41-12-3-4-13-42(41)34-48/h3-38H,1-2H3
InChIKeyICVOJWDTZHMKQQ-UHFFFAOYSA-N
MW922.07 g/mol
LogP18.16
Rot. Bonds6

About 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole

6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole (PubChem CID 88891265) has the molecular formula C65H42F3N3 and a molecular weight of 922.07 g/mol. Its IUPAC name is 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole.

Molecular Properties

Compound Name6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole
PubChem CID88891265
Molecular FormulaC65H42F3N3
Molecular Weight922.07 g/mol
Exact Mass921.33
IUPAC Name6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole
SMILESCc1cccc(-c2c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)c6ccncc6n7-c6ccc7ccccc7c6)nc5)c5ccccc45)cc3c(-c3cccc(C)c3)c3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C65H42F3N3/c1-39-10-7-14-45(32-39)62-54-25-21-43(35-57(54)63(46-15-8-11-40(2)33-46)64-55(62)18-9-19-58(64)65(66,67)68)49-26-27-50(52-17-6-5-16-51(49)52)47-22-28-59(70-37-47)44-23-29-60-56(36-44)53-30-31-69-38-61(53)71(60)48-24-20-41-12-3-4-13-42(41)34-48/h3-38H,1-2H3
InChIKeyICVOJWDTZHMKQQ-UHFFFAOYSA-N
XLogP18.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.07
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole?
The IUPAC name of 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole (CID 88891265) is 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole.
What is the SMILES notation for 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole?
The canonical SMILES for 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole is Cc1cccc(-c2c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)c6ccncc6n7-c6ccc7ccccc7c6)nc5)c5ccccc45)cc3c(-c3cccc(C)c3)c3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole?
The InChIKey is ICVOJWDTZHMKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42F3N3/c1-39-10-7-14-45(32-39)62-54-25-21-43(35-57(54)63(46-15-8-11-40(2)33-46)64-55(62)18-9-19-58(64)65(66,67)68)49-26-27-50(52-17-6-5-16-51(49)52)47-22-28-59(70-37-47)44-23-29-60-56(36-44)53-30-31-69-38-61(53)71(60)48-24-20-41-12-3-4-13-42(41)34-48/h3-38H,1-2H3.
What are the key properties of 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole?
6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole has a molecular weight of 922.07 g/mol, XLogP of 18.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-[9,10-bis(3-methylphenyl)-8-(trifluoromethyl)anthracen-2-yl]naphthalen-1-yl]-2-pyridinyl]-9-naphthalen-2-ylpyrido[3,4-b]indole is sourced from PubChem (CID 88891265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).