1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole

C54H37N3 — CID 170375920

IUPAC1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESC1=CC(c2ccccc2)=CC(c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c43)c2)C1
InChIInChI=1S/C54H37N3/c1-2-15-36(16-3-1)37-17-12-18-38(33-37)39-19-13-20-40(34-39)56-50-28-10-7-24-45(50)47-25-14-30-52(54(47)56)57-51-29-11-6-23-44(51)46-32-31-41(35-53(46)57)55-48-26-8-4-21-42(48)43-22-5-9-27-49(43)55/h1-17,19-35,38H,18H2
InChIKeyFNUDCCROYOUNCH-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.10
Rot. Bonds5

About 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole

1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (PubChem CID 170375920) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
PubChem CID170375920
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESC1=CC(c2ccccc2)=CC(c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c43)c2)C1
InChIInChI=1S/C54H37N3/c1-2-15-36(16-3-1)37-17-12-18-38(33-37)39-19-13-20-40(34-39)56-50-28-10-7-24-45(50)47-25-14-30-52(54(47)56)57-51-29-11-6-23-44(51)46-32-31-41(35-53(46)57)55-48-26-8-4-21-42(48)43-22-5-9-27-49(43)55/h1-17,19-35,38H,18H2
InChIKeyFNUDCCROYOUNCH-UHFFFAOYSA-N
XLogP14.10
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 ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole
CID 163741253
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
11-[3-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]benzo[a]carbazole
CID 166918794
1-carbazol-9-yl-9-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)carbazol-2-yl]carbazole
CID 170375461
7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 145327096
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole
CID 67950911
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane
CID 170516283

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The IUPAC name of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (CID 170375920) is 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.
What is the SMILES notation for 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The canonical SMILES for 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is C1=CC(c2ccccc2)=CC(c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c43)c2)C1.
What is the InChIKey of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The InChIKey is FNUDCCROYOUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-2-15-36(16-3-1)37-17-12-18-38(33-37)39-19-13-20-40(34-39)56-50-28-10-7-24-45(50)47-25-14-30-52(54(47)56)57-51-29-11-6-23-44(51)46-32-31-41(35-53(46)57)55-48-26-8-4-21-42(48)43-22-5-9-27-49(43)55/h1-17,19-35,38H,18H2.
What are the key properties of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole has a molecular weight of 727.91 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is sourced from PubChem (CID 170375920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).