2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole

C54H37N3 — CID 170375447

IUPAC2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole
SMILESC1=CCCC(c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc32)=C1
InChIInChI=1S/C54H37N3/c1-3-16-36(17-4-1)40-24-15-25-41(37-18-5-2-6-19-37)54(40)57-51-29-14-9-22-44(51)46-32-30-39(35-53(46)57)56-50-28-13-10-23-45(50)47-34-38(31-33-52(47)56)55-48-26-11-7-20-42(48)43-21-8-12-27-49(43)55/h1-5,7-18,20-35H,6,19H2
InChIKeySIQIDVRKUZHKLU-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.38
Rot. Bonds5

About 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole

2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole (PubChem CID 170375447) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole
PubChem CID170375447
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole
SMILESC1=CCCC(c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc32)=C1
InChIInChI=1S/C54H37N3/c1-3-16-36(17-4-1)40-24-15-25-41(37-18-5-2-6-19-37)54(40)57-51-29-14-9-22-44(51)46-32-30-39(35-53(46)57)56-50-28-13-10-23-45(50)47-34-38(31-33-52(47)56)55-48-26-11-7-20-42(48)43-21-8-12-27-49(43)55/h1-5,7-18,20-35H,6,19H2
InChIKeySIQIDVRKUZHKLU-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

3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
CID 168762802
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 138606121
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
3-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;4-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;3-carbazol-9-yl-9-[2-phenyl-6-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-carbazol-9-yl-9-[2-phenyl-6-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 165068222
11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
CID 130184198
[9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170515008
2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline
CID 88947199
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
2,6-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole
CID 146280663
[9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane
CID 171458588
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole?
The IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole (CID 170375447) is 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole.
What is the SMILES notation for 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole?
The canonical SMILES for 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole is C1=CCCC(c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc32)=C1.
What is the InChIKey of 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole?
The InChIKey is SIQIDVRKUZHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-3-16-36(17-4-1)40-24-15-25-41(37-18-5-2-6-19-37)54(40)57-51-29-14-9-22-44(51)46-32-30-39(35-53(46)57)56-50-28-13-10-23-45(50)47-34-38(31-33-52(47)56)55-48-26-11-7-20-42(48)43-21-8-12-27-49(43)55/h1-5,7-18,20-35H,6,19H2.
What are the key properties of 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole?
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)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 2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole is sourced from PubChem (CID 170375447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).