9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole

C52H38N2 — CID 58793287

IUPAC9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3-c3ccc4c(c3)C3(CCCC3)c3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc3-4)c2)nc1
InChIInChI=1S/C52H38N2/c1-2-15-42(41(14-1)37-12-11-13-39(32-37)49-18-7-10-31-53-49)38-24-28-44-43-27-23-36(33-47(43)52(48(44)34-38)29-8-9-30-52)35-21-25-40(26-22-35)54-50-19-5-3-16-45(50)46-17-4-6-20-51(46)54/h1-7,10-28,31-34H,8-9,29-30H2
InChIKeySMSCYVURKXKESD-UHFFFAOYSA-N
MW690.89 g/mol
LogP13.69
Rot. Bonds5

About 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole

9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole (PubChem CID 58793287) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
PubChem CID58793287
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3-c3ccc4c(c3)C3(CCCC3)c3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc3-4)c2)nc1
InChIInChI=1S/C52H38N2/c1-2-15-42(41(14-1)37-12-11-13-39(32-37)49-18-7-10-31-53-49)38-24-28-44-43-27-23-36(33-47(43)52(48(44)34-38)29-8-9-30-52)35-21-25-40(26-22-35)54-50-19-5-3-16-45(50)46-17-4-6-20-51(46)54/h1-7,10-28,31-34H,8-9,29-30H2
InChIKeySMSCYVURKXKESD-UHFFFAOYSA-N
XLogP13.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-phenyl-4-[7'-[2-phenyl-5-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]pyrido[3,4-b]indole
CID 58793056
iridium;9-[4-[7'-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793277
9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793163
9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole
CID 58793223
iridium;9-[4-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-3,6-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)carbazole
CID 58793207
iridium;9-[4-[7'-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793028
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947464
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 146757100
9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylphenyl)carbazole
CID 140814567
9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 59236268

Frequently Asked Questions

What is the IUPAC name of 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole (CID 58793287) is 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3ccccc3-c3ccc4c(c3)C3(CCCC3)c3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc3-4)c2)nc1.
What is the InChIKey of 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole?
The InChIKey is SMSCYVURKXKESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-2-15-42(41(14-1)37-12-11-13-39(32-37)49-18-7-10-31-53-49)38-24-28-44-43-27-23-36(33-47(43)52(48(44)34-38)29-8-9-30-52)35-21-25-40(26-22-35)54-50-19-5-3-16-45(50)46-17-4-6-20-51(46)54/h1-7,10-28,31-34H,8-9,29-30H2.
What are the key properties of 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole?
9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole has a molecular weight of 690.89 g/mol, XLogP of 13.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole is sourced from PubChem (CID 58793287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).