9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

C69H45FN4O — CID 168802877

IUPAC9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESCC1(c2ccccc2)Oc2cc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3F)ccc2-c2ccccc21
InChIInChI=1S/C69H45FN4O/c1-69(52-18-3-2-4-19-52)61-26-10-7-22-57(61)60-40-37-50(43-65(60)75-69)56-39-38-51(42-62(56)70)68-72-66(71-67(73-68)48-35-31-46(32-36-48)55-25-14-16-45-15-5-6-21-54(45)55)47-33-29-44(30-34-47)49-17-13-20-53(41-49)74-63-27-11-8-23-58(63)59-24-9-12-28-64(59)74/h2-43H,1H3
InChIKeyICSNOJKQVQYPQV-UHFFFAOYSA-N
MW965.14 g/mol
LogP17.59
Rot. Bonds8

About 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 168802877) has the molecular formula C69H45FN4O and a molecular weight of 965.14 g/mol. Its IUPAC name is 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID168802877
Molecular FormulaC69H45FN4O
Molecular Weight965.14 g/mol
Exact Mass964.36
IUPAC Name9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESCC1(c2ccccc2)Oc2cc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3F)ccc2-c2ccccc21
InChIInChI=1S/C69H45FN4O/c1-69(52-18-3-2-4-19-52)61-26-10-7-22-57(61)60-40-37-50(43-65(60)75-69)56-39-38-51(42-62(56)70)68-72-66(71-67(73-68)48-35-31-46(32-36-48)55-25-14-16-45-15-5-6-21-54(45)55)47-33-29-44(30-34-47)49-17-13-20-53(41-49)74-63-27-11-8-23-58(63)59-24-9-12-28-64(59)74/h2-43H,1H3
InChIKeyICSNOJKQVQYPQV-UHFFFAOYSA-N
XLogP17.59
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.14
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 168802877) is 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is CC1(c2ccccc2)Oc2cc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3F)ccc2-c2ccccc21.
What is the InChIKey of 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is ICSNOJKQVQYPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45FN4O/c1-69(52-18-3-2-4-19-52)61-26-10-7-22-57(61)60-40-37-50(43-65(60)75-69)56-39-38-51(42-62(56)70)68-72-66(71-67(73-68)48-35-31-46(32-36-48)55-25-14-16-45-15-5-6-21-54(45)55)47-33-29-44(30-34-47)49-17-13-20-53(41-49)74-63-27-11-8-23-58(63)59-24-9-12-28-64(59)74/h2-43H,1H3.
What are the key properties of 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 965.14 g/mol, XLogP of 17.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[4-[3-fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 168802877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).