4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole

C60H39N3 — CID 170659856

IUPAC4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5c(-n6c7ccccc7c7c(-n8c9ccccc9c9ccccc98)cccc76)cccc54)c3)c2)cc1
InChIInChI=1S/C60H39N3/c1-3-18-40(19-4-1)42-22-15-23-43(36-42)45-37-44(41-20-5-2-6-21-41)38-46(39-45)61-53-30-13-9-26-49(53)59-55(61)32-16-34-57(59)63-54-31-14-10-27-50(54)60-56(33-17-35-58(60)63)62-51-28-11-7-24-47(51)48-25-8-12-29-52(48)62/h1-39H
InChIKeyUXVPBZKKSXCJTR-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.98
Rot. Bonds6

About 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole

4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole (PubChem CID 170659856) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole.

Molecular Properties

Compound Name4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
PubChem CID170659856
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5c(-n6c7ccccc7c7c(-n8c9ccccc9c9ccccc98)cccc76)cccc54)c3)c2)cc1
InChIInChI=1S/C60H39N3/c1-3-18-40(19-4-1)42-22-15-23-43(36-42)45-37-44(41-20-5-2-6-21-41)38-46(39-45)61-53-30-13-9-26-49(53)59-55(61)32-16-34-57(59)63-54-31-14-10-27-50(54)60-56(33-17-35-58(60)63)62-51-28-11-7-24-47(51)48-25-8-12-29-52(48)62/h1-39H
InChIKeyUXVPBZKKSXCJTR-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

3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170097372
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785001
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9,14-bis(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,5-diphenylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162231866
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118318959

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
The IUPAC name of 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole (CID 170659856) is 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole.
What is the SMILES notation for 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
The canonical SMILES for 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5c(-n6c7ccccc7c7c(-n8c9ccccc9c9ccccc98)cccc76)cccc54)c3)c2)cc1.
What is the InChIKey of 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
The InChIKey is UXVPBZKKSXCJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-18-40(19-4-1)42-22-15-23-43(36-42)45-37-44(41-20-5-2-6-21-41)38-46(39-45)61-53-30-13-9-26-49(53)59-55(61)32-16-34-57(59)63-54-31-14-10-27-50(54)60-56(33-17-35-58(60)63)62-51-28-11-7-24-47(51)48-25-8-12-29-52(48)62/h1-39H.
What are the key properties of 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-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 4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole is sourced from PubChem (CID 170659856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).