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

C43H27N — CID 129258967

IUPAC9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1
InChIInChI=1S/C43H27N/c1-2-13-28(14-3-1)29-25-26-31-30-15-4-8-19-35(30)43(38(31)27-29)36-20-9-5-18-34(36)42-37(43)21-12-24-41(42)44-39-22-10-6-16-32(39)33-17-7-11-23-40(33)44/h1-27H
InChIKeyWCXAXQIWXKDQPS-UHFFFAOYSA-N
MW557.70 g/mol
LogP10.79
Rot. Bonds2

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

9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole (PubChem CID 129258967) has the molecular formula C43H27N and a molecular weight of 557.70 g/mol. Its IUPAC name is 9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole.

Molecular Properties

Compound Name9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
PubChem CID129258967
Molecular FormulaC43H27N
Molecular Weight557.70 g/mol
Exact Mass557.21
IUPAC Name9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1
InChIInChI=1S/C43H27N/c1-2-13-28(14-3-1)29-25-26-31-30-15-4-8-19-35(30)43(38(31)27-29)36-20-9-5-18-34(36)42-37(43)21-12-24-41(42)44-39-22-10-6-16-32(39)33-17-7-11-23-40(33)44/h1-27H
InChIKeyWCXAXQIWXKDQPS-UHFFFAOYSA-N
XLogP10.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
CID 158608032
CID 158608032
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 142391304
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
CID 118153752
CID 118153752
N-(2-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135168589
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
2'-[4-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 139521391
N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135168601

Frequently Asked Questions

What is the IUPAC name of 9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole?
The IUPAC name of 9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole (CID 129258967) is 9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole.
What is the SMILES notation for 9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole?
The canonical SMILES for 9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1.
What is the InChIKey of 9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole?
The InChIKey is WCXAXQIWXKDQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N/c1-2-13-28(14-3-1)29-25-26-31-30-15-4-8-19-35(30)43(38(31)27-29)36-20-9-5-18-34(36)42-37(43)21-12-24-41(42)44-39-22-10-6-16-32(39)33-17-7-11-23-40(33)44/h1-27H.
What are the key properties of 9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole?
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole has a molecular weight of 557.70 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole is sourced from PubChem (CID 129258967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).