2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole

C51H35N3 — CID 121274445

IUPAC2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)ccc43)cc21
InChIInChI=1S/C51H35N3/c1-51(2)43-18-8-3-13-35(43)36-26-23-33(30-44(36)51)52-48-22-12-7-17-40(48)42-29-32(25-28-49(42)52)54-47-21-11-6-16-39(47)41-27-24-34(31-50(41)54)53-45-19-9-4-14-37(45)38-15-5-10-20-46(38)53/h3-31H,1-2H3
InChIKeyZNKWPXODTKPQOV-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.28
Rot. Bonds3

About 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole

2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole (PubChem CID 121274445) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
PubChem CID121274445
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)ccc43)cc21
InChIInChI=1S/C51H35N3/c1-51(2)43-18-8-3-13-35(43)36-26-23-33(30-44(36)51)52-48-22-12-7-17-40(48)42-29-32(25-28-49(42)52)54-47-21-11-6-16-39(47)41-27-24-34(31-50(41)54)53-45-19-9-4-14-37(45)38-15-5-10-20-46(38)53/h3-31H,1-2H3
InChIKeyZNKWPXODTKPQOV-UHFFFAOYSA-N
XLogP13.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
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3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
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2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
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9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
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7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
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CID 134551753
CID 134551753
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-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 122595589
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-14-(9,9-dimethylfluoren-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 122469773
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole (CID 121274445) is 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)ccc43)cc21.
What is the InChIKey of 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole?
The InChIKey is ZNKWPXODTKPQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-51(2)43-18-8-3-13-35(43)36-26-23-33(30-44(36)51)52-48-22-12-7-17-40(48)42-29-32(25-28-49(42)52)54-47-21-11-6-16-39(47)41-27-24-34(31-50(41)54)53-45-19-9-4-14-37(45)38-15-5-10-20-46(38)53/h3-31H,1-2H3.
What are the key properties of 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole?
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole has a molecular weight of 689.86 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 121274445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).