1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole

C54H37N3 — CID 170375461

IUPAC1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole
SMILESC1=CC(c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc32)=CCC1
InChIInChI=1S/C54H37N3/c1-3-17-36(18-4-1)39-25-15-26-40(37-19-5-2-6-20-37)53(39)57-50-31-14-9-23-43(50)45-34-33-38(35-52(45)57)55-47-28-11-10-24-44(47)46-27-16-32-51(54(46)55)56-48-29-12-7-21-41(48)42-22-8-13-30-49(42)56/h1,3-5,7-35H,2,6H2
InChIKeyRKYAZRNQMJUPCO-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.38
Rot. Bonds5

About 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole

1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole (PubChem CID 170375461) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole
PubChem CID170375461
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole
SMILESC1=CC(c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc32)=CCC1
InChIInChI=1S/C54H37N3/c1-3-17-36(18-4-1)39-25-15-26-40(37-19-5-2-6-20-37)53(39)57-50-31-14-9-23-43(50)45-34-33-38(35-52(45)57)55-47-28-11-10-24-44(47)46-27-16-32-51(54(46)55)56-48-29-12-7-21-41(48)42-22-8-13-30-49(42)56/h1,3-5,7-35H,2,6H2
InChIKeyRKYAZRNQMJUPCO-UHFFFAOYSA-N
XLogP14.38
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170515569
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-19-(4-phenylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166703086
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
CID 170374759
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 170375920
[1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170514979
9-[3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381314
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
9-[4-[5-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381386

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole?
The IUPAC name of 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole (CID 170375461) is 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole.
What is the SMILES notation for 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole?
The canonical SMILES for 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole is C1=CC(c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc32)=CCC1.
What is the InChIKey of 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole?
The InChIKey is RKYAZRNQMJUPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-3-17-36(18-4-1)39-25-15-26-40(37-19-5-2-6-20-37)53(39)57-50-31-14-9-23-43(50)45-34-33-38(35-52(45)57)55-47-28-11-10-24-44(47)46-27-16-32-51(54(46)55)56-48-29-12-7-21-41(48)42-22-8-13-30-49(42)56/h1,3-5,7-35H,2,6H2.
What are the key properties of 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole?
1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole has a molecular weight of 727.91 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole is sourced from PubChem (CID 170375461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).