2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole

C51H36N2 — CID 157250025

IUPAC2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C51H36N2/c1-51(2)44-22-12-9-21-41(44)50-42(34-25-27-40-38-19-10-13-23-46(38)53(49(40)32-34)37-17-7-4-8-18-37)30-35(31-45(50)51)33-26-28-48-43(29-33)39-20-11-14-24-47(39)52(48)36-15-5-3-6-16-36/h3-32H,1-2H3
InChIKeyKJOIULYQOSEBCN-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.52
Rot. Bonds4

About 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole

2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole (PubChem CID 157250025) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
PubChem CID157250025
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C51H36N2/c1-51(2)44-22-12-9-21-41(44)50-42(34-25-27-40-38-19-10-13-23-46(38)53(49(40)32-34)37-17-7-4-8-18-37)30-35(31-45(50)51)33-26-28-48-43(29-33)39-20-11-14-24-47(39)52(48)36-15-5-3-6-16-36/h3-32H,1-2H3
InChIKeyKJOIULYQOSEBCN-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole
CID 145327729
2-[3-(14,14-dimethyl-8-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]-9-phenylcarbazole
CID 130265499
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 145370486
3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole
CID 138474935
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 160932250

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole (CID 157250025) is 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole?
The InChIKey is KJOIULYQOSEBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-51(2)44-22-12-9-21-41(44)50-42(34-25-27-40-38-19-10-13-23-46(38)53(49(40)32-34)37-17-7-4-8-18-37)30-35(31-45(50)51)33-26-28-48-43(29-33)39-20-11-14-24-47(39)52(48)36-15-5-3-6-16-36/h3-32H,1-2H3.
What are the key properties of 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole?
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole has a molecular weight of 676.86 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 157250025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).