9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole

C51H35N — CID 137468969

IUPAC9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole
SMILESc1ccc(CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H35N/c1-2-15-34(16-3-1)33-43(35-29-31-36(32-30-35)52-48-27-12-7-19-39(48)40-20-8-13-28-49(40)52)41-22-14-26-47-50(41)42-21-6-11-25-46(42)51(47)44-23-9-4-17-37(44)38-18-5-10-24-45(38)51/h1-32,43H,33H2
InChIKeyYIQXVERXAOQTSF-UHFFFAOYSA-N
MW661.85 g/mol
LogP12.50
Rot. Bonds5

About 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole

9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole (PubChem CID 137468969) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole
PubChem CID137468969
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC Name9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole
SMILESc1ccc(CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H35N/c1-2-15-34(16-3-1)33-43(35-29-31-36(32-30-35)52-48-27-12-7-19-39(48)40-20-8-13-28-49(40)52)41-22-14-26-47-50(41)42-21-6-11-25-46(42)51(47)44-23-9-4-17-37(44)38-18-5-10-24-45(38)51/h1-32,43H,33H2
InChIKeyYIQXVERXAOQTSF-UHFFFAOYSA-N
XLogP12.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole
CID 123808425
9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole
CID 144639975
20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580544
9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
CID 158819687
CID 134551696
CID 134551696
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 146332882
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451
9-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 168836616
9-[4-[4-[3-(9,9-diphenylfluoren-2-yl)-3-(2-phenylphenyl)propyl]phenyl]phenyl]carbazole
CID 156568564

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole (CID 137468969) is 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole is c1ccc(CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole?
The InChIKey is YIQXVERXAOQTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-2-15-34(16-3-1)33-43(35-29-31-36(32-30-35)52-48-27-12-7-19-39(48)40-20-8-13-28-49(40)52)41-22-14-26-47-50(41)42-21-6-11-25-46(42)51(47)44-23-9-4-17-37(44)38-18-5-10-24-45(38)51/h1-32,43H,33H2.
What are the key properties of 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole?
9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole has a molecular weight of 661.85 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-phenyl-1-(9,9'-spirobi[fluorene]-4'-yl)ethyl]phenyl]carbazole is sourced from PubChem (CID 137468969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).