9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole

C67H42N2 — CID 129231868

IUPAC9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc4c(cc3-c3cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C67H42N2/c1-2-18-43(19-3-1)44-34-36-45(37-35-44)57-42-62-58(51-22-6-13-29-61(51)67(62)59-27-11-4-20-49(59)50-21-5-12-28-60(50)67)41-56(57)46-38-47(68-63-30-14-7-23-52(63)53-24-8-15-31-64(53)68)40-48(39-46)69-65-32-16-9-25-54(65)55-26-10-17-33-66(55)69/h1-42H
InChIKeyNKFZKQMIRPMFER-UHFFFAOYSA-N
MW875.09 g/mol
LogP17.23
Rot. Bonds5

About 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole (PubChem CID 129231868) has the molecular formula C67H42N2 and a molecular weight of 875.09 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole
PubChem CID129231868
Molecular FormulaC67H42N2
Molecular Weight875.09 g/mol
Exact Mass874.33
IUPAC Name9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc4c(cc3-c3cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C67H42N2/c1-2-18-43(19-3-1)44-34-36-45(37-35-44)57-42-62-58(51-22-6-13-29-61(51)67(62)59-27-11-4-20-49(59)50-21-5-12-28-60(50)67)41-56(57)46-38-47(68-63-30-14-7-23-52(63)53-24-8-15-31-64(53)68)40-48(39-46)69-65-32-16-9-25-54(65)55-26-10-17-33-66(55)69/h1-42H
InChIKeyNKFZKQMIRPMFER-UHFFFAOYSA-N
XLogP17.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.09
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-phenyl-N-(4-phenylphenyl)-N-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]carbazol-2-amine
CID 146367853
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 153465943
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118087830
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
CID 121385110
CID 121385110
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole (CID 129231868) is 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3cc4c(cc3-c3cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole?
The InChIKey is NKFZKQMIRPMFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-2-18-43(19-3-1)44-34-36-45(37-35-44)57-42-62-58(51-22-6-13-29-61(51)67(62)59-27-11-4-20-49(59)50-21-5-12-28-60(50)67)41-56(57)46-38-47(68-63-30-14-7-23-52(63)53-24-8-15-31-64(53)68)40-48(39-46)69-65-32-16-9-25-54(65)55-26-10-17-33-66(55)69/h1-42H.
What are the key properties of 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole has a molecular weight of 875.09 g/mol, XLogP of 17.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole is sourced from PubChem (CID 129231868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).