9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole

C69H45N5 — CID 139303113

IUPAC9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6-n6c7ccccc7c7ccccc76)n5)cc4-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C69H45N5/c1-4-20-46(21-5-1)49-26-18-27-50(42-49)51-28-19-29-53(43-51)55-40-39-54(45-65(55)73-61-34-14-10-30-56(61)57-31-11-15-35-62(57)73)68-70-67(48-24-8-3-9-25-48)71-69(72-68)60-41-38-52(47-22-6-2-7-23-47)44-66(60)74-63-36-16-12-32-58(63)59-33-13-17-37-64(59)74/h1-45H
InChIKeyVYZWFORNHQCYPP-UHFFFAOYSA-N
MW944.15 g/mol
LogP17.73
Rot. Bonds9

About 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole

9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (PubChem CID 139303113) has the molecular formula C69H45N5 and a molecular weight of 944.15 g/mol. Its IUPAC name is 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
PubChem CID139303113
Molecular FormulaC69H45N5
Molecular Weight944.15 g/mol
Exact Mass943.37
IUPAC Name9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6-n6c7ccccc7c7ccccc76)n5)cc4-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C69H45N5/c1-4-20-46(21-5-1)49-26-18-27-50(42-49)51-28-19-29-53(43-51)55-40-39-54(45-65(55)73-61-34-14-10-30-56(61)57-31-11-15-35-62(57)73)68-70-67(48-24-8-3-9-25-48)71-69(72-68)60-41-38-52(47-22-6-2-7-23-47)44-66(60)74-63-36-16-12-32-58(63)59-33-13-17-37-64(59)74/h1-45H
InChIKeyVYZWFORNHQCYPP-UHFFFAOYSA-N
XLogP17.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.15
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[5-naphthalen-1-yl-2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659152
9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659085
9-[2-(3-phenylphenyl)-5-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659178
9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659249
9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303447
9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole
CID 168801567
9-[5-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole
CID 170659247
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The IUPAC name of 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (CID 139303113) is 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6-n6c7ccccc7c7ccccc76)n5)cc4-n4c5ccccc5c5ccccc54)c3)c2)cc1.
What is the InChIKey of 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The InChIKey is VYZWFORNHQCYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5/c1-4-20-46(21-5-1)49-26-18-27-50(42-49)51-28-19-29-53(43-51)55-40-39-54(45-65(55)73-61-34-14-10-30-56(61)57-31-11-15-35-62(57)73)68-70-67(48-24-8-3-9-25-48)71-69(72-68)60-41-38-52(47-22-6-2-7-23-47)44-66(60)74-63-36-16-12-32-58(63)59-33-13-17-37-64(59)74/h1-45H.
What are the key properties of 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole has a molecular weight of 944.15 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 139303113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).