9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole

C67H45N7O — CID 168803106

IUPAC9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)Oc2cc(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc(-c5ccc6ccccc6c5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc21
InChIInChI=1S/C67H45N7O/c1-67(2)57-26-14-11-23-52(57)55-38-33-47(41-60(55)75-67)51-37-34-49(40-56(51)66-72-61(43-18-5-3-6-19-43)68-62(73-66)44-20-7-4-8-21-44)65-70-63(69-64(71-65)48-30-29-42-17-9-10-22-46(42)39-48)45-31-35-50(36-32-45)74-58-27-15-12-24-53(58)54-25-13-16-28-59(54)74/h3-41H,1-2H3
InChIKeyXETHCRGHIDTNCI-UHFFFAOYSA-N
MW964.15 g/mol
LogP16.27
Rot. Bonds8

About 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 168803106) has the molecular formula C67H45N7O and a molecular weight of 964.15 g/mol. Its IUPAC name is 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID168803106
Molecular FormulaC67H45N7O
Molecular Weight964.15 g/mol
Exact Mass963.37
IUPAC Name9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)Oc2cc(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc(-c5ccc6ccccc6c5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc21
InChIInChI=1S/C67H45N7O/c1-67(2)57-26-14-11-23-52(57)55-38-33-47(41-60(55)75-67)51-37-34-49(40-56(51)66-72-61(43-18-5-3-6-19-43)68-62(73-66)44-20-7-4-8-21-44)65-70-63(69-64(71-65)48-30-29-42-17-9-10-22-46(42)39-48)45-31-35-50(36-32-45)74-58-27-15-12-24-53(58)54-25-13-16-28-59(54)74/h3-41H,1-2H3
InChIKeyXETHCRGHIDTNCI-UHFFFAOYSA-N
XLogP16.27
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.15
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803005
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166563534
9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170259852
9-[3-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032128
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
9-[4-[4-naphthalen-2-yl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283094
9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138573376
11,11-dimethyl-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[1,2-b]carbazole
CID 164803024
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenoxathiin-3-yl-6-phenyl-1,3,5-triazine
CID 168802957
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 168803106) is 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)Oc2cc(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc(-c5ccc6ccccc6c5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc21.
What is the InChIKey of 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is XETHCRGHIDTNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N7O/c1-67(2)57-26-14-11-23-52(57)55-38-33-47(41-60(55)75-67)51-37-34-49(40-56(51)66-72-61(43-18-5-3-6-19-43)68-62(73-66)44-20-7-4-8-21-44)65-70-63(69-64(71-65)48-30-29-42-17-9-10-22-46(42)39-48)45-31-35-50(36-32-45)74-58-27-15-12-24-53(58)54-25-13-16-28-59(54)74/h3-41H,1-2H3.
What are the key properties of 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 964.15 g/mol, XLogP of 16.27, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 168803106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).