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

C60H39N3 — CID 170659651

IUPAC3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5c(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cccc54)c3)c2)cc1
InChIInChI=1S/C60H39N3/c1-3-17-40(18-4-1)42-21-15-22-43(35-42)45-36-44(41-19-5-2-6-20-41)37-47(38-45)62-56-30-14-10-26-51(56)60-58(62)31-16-32-59(60)63-55-29-13-9-25-50(55)52-39-46(33-34-57(52)63)61-53-27-11-7-23-48(53)49-24-8-12-28-54(49)61/h1-39H
InChIKeyPSTOFTHSWMSHRV-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.98
Rot. Bonds6

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

3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole (PubChem CID 170659651) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
PubChem CID170659651
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5c(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cccc54)c3)c2)cc1
InChIInChI=1S/C60H39N3/c1-3-17-40(18-4-1)42-21-15-22-43(35-42)45-36-44(41-19-5-2-6-20-41)37-47(38-45)62-56-30-14-10-26-51(56)60-58(62)31-16-32-59(60)63-55-29-13-9-25-50(55)52-39-46(33-34-57(52)63)61-53-27-11-7-23-48(53)49-24-8-12-28-54(49)61/h1-39H
InChIKeyPSTOFTHSWMSHRV-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-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165075312
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
9-(4-phenylphenyl)-14-[3-[4-[3-[4-[3-[14-(4-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-nonaen-9-yl]carbazol-9-yl]phenyl]phenyl]phenyl]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 139480563
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054
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
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
triphenyl-[4-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588633

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole (CID 170659651) is 3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5c(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cccc54)c3)c2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
The InChIKey is PSTOFTHSWMSHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-17-40(18-4-1)42-21-15-22-43(35-42)45-36-44(41-19-5-2-6-20-41)37-47(38-45)62-56-30-14-10-26-51(56)60-58(62)31-16-32-59(60)63-55-29-13-9-25-50(55)52-39-46(33-34-57(52)63)61-53-27-11-7-23-48(53)49-24-8-12-28-54(49)61/h1-39H.
What are the key properties of 3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
3-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 3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole is sourced from PubChem (CID 170659651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).