3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole

C54H35N3 — CID 170374855

IUPAC3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc43)c2)cc1
InChIInChI=1S/C54H35N3/c1-3-16-36(17-4-1)38-32-39(37-18-5-2-6-19-37)34-41(33-38)56-47-24-11-9-22-44(47)46-35-40(30-31-51(46)56)55-50-27-14-10-23-45(50)54-52(55)28-15-29-53(54)57-48-25-12-7-20-42(48)43-21-8-13-26-49(43)57/h1-35H
InChIKeyFZVBBPXQJVOKMT-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole

3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole (PubChem CID 170374855) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
PubChem CID170374855
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc43)c2)cc1
InChIInChI=1S/C54H35N3/c1-3-16-36(17-4-1)38-32-39(37-18-5-2-6-19-37)34-41(33-38)56-47-24-11-9-22-44(47)46-35-40(30-31-51(46)56)55-50-27-14-10-23-45(50)54-52(55)28-15-29-53(54)57-48-25-12-7-20-42(48)43-21-8-13-26-49(43)57/h1-35H
InChIKeyFZVBBPXQJVOKMT-UHFFFAOYSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.31
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
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
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
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
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
9-(3,5-diphenylphenyl)-14-triphenylen-2-yl-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 126731378
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole?
The IUPAC name of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole (CID 170374855) is 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole.
What is the SMILES notation for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole?
The canonical SMILES for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc43)c2)cc1.
What is the InChIKey of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole?
The InChIKey is FZVBBPXQJVOKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-16-36(17-4-1)38-32-39(37-18-5-2-6-19-37)34-41(33-38)56-47-24-11-9-22-44(47)46-35-40(30-31-51(46)56)55-50-27-14-10-23-45(50)54-52(55)28-15-29-53(54)57-48-25-12-7-20-42(48)43-21-8-13-26-49(43)57/h1-35H.
What are the key properties of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole?
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole is sourced from PubChem (CID 170374855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).