2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole

C60H39N3 — CID 170659751

IUPAC2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cc54)c3)c2)cc1
InChIInChI=1S/C60H39N3/c1-3-16-40(17-4-1)42-20-15-21-43(34-42)45-35-44(41-18-5-2-6-19-41)36-48(37-45)63-58-29-14-10-25-52(58)54-33-31-47(39-60(54)63)62-57-28-13-9-24-51(57)53-32-30-46(38-59(53)62)61-55-26-11-7-22-49(55)50-23-8-12-27-56(50)61/h1-39H
InChIKeyCDBVCDPZDPLJSG-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.98
Rot. Bonds6

About 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole

2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole (PubChem CID 170659751) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole
PubChem CID170659751
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cc54)c3)c2)cc1
InChIInChI=1S/C60H39N3/c1-3-16-40(17-4-1)42-20-15-21-43(34-42)45-35-44(41-18-5-2-6-19-41)36-48(37-45)63-58-29-14-10-25-52(58)54-33-31-47(39-60(54)63)62-57-28-13-9-24-51(57)53-32-30-46(38-59(53)62)61-55-26-11-7-22-49(55)50-23-8-12-27-56(50)61/h1-39H
InChIKeyCDBVCDPZDPLJSG-UHFFFAOYSA-N
XLogP15.98
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 142356273
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159127106
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
9-(3,5-diphenylphenyl)carbazole
CID 86068368
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole (CID 170659751) is 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cc54)c3)c2)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
The InChIKey is CDBVCDPZDPLJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-16-40(17-4-1)42-20-15-21-43(34-42)45-35-44(41-18-5-2-6-19-41)36-48(37-45)63-58-29-14-10-25-52(58)54-33-31-47(39-60(54)63)62-57-28-13-9-24-51(57)53-32-30-46(38-59(53)62)61-55-26-11-7-22-49(55)50-23-8-12-27-56(50)61/h1-39H.
What are the key properties of 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole has a molecular weight of 801.99 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170659751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).