9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole

C45H35N — CID 156577016

IUPAC9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)C4C6)ccc32)cc1
InChIInChI=1S/C45H35N/c1-2-10-29(11-3-1)34-12-5-8-16-42(34)46-43-17-9-6-14-37(43)38-26-30(19-21-44(38)46)31-18-20-36-35-13-4-7-15-39(35)45(41(36)27-31)33-23-28-22-32(25-33)40(45)24-28/h1-21,26-28,32-33,40H,22-25H2
InChIKeyWWCGTFMGGHYRDH-UHFFFAOYSA-N
MW589.78 g/mol
LogP11.45
Rot. Bonds3

About 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole

9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole (PubChem CID 156577016) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole.

Molecular Properties

Compound Name9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole
PubChem CID156577016
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC Name9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)C4C6)ccc32)cc1
InChIInChI=1S/C45H35N/c1-2-10-29(11-3-1)34-12-5-8-16-42(34)46-43-17-9-6-14-37(43)38-26-30(19-21-44(38)46)31-18-20-36-35-13-4-7-15-39(35)45(41(36)27-31)33-23-28-22-32(25-33)40(45)24-28/h1-21,26-28,32-33,40H,22-25H2
InChIKeyWWCGTFMGGHYRDH-UHFFFAOYSA-N
XLogP11.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
2'-[10-(2,4-diphenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)carbazole
CID 165027791
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-9-phenylcarbazole
CID 147889742
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 156578554
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
3'-[10-(2,4-diphenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)carbazole
CID 164972681
2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine
CID 156577191
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole?
The IUPAC name of 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole (CID 156577016) is 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole.
What is the SMILES notation for 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole?
The canonical SMILES for 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole is c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)C4C6)ccc32)cc1.
What is the InChIKey of 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole?
The InChIKey is WWCGTFMGGHYRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-2-10-29(11-3-1)34-12-5-8-16-42(34)46-43-17-9-6-14-37(43)38-26-30(19-21-44(38)46)31-18-20-36-35-13-4-7-15-39(35)45(41(36)27-31)33-23-28-22-32(25-33)40(45)24-28/h1-21,26-28,32-33,40H,22-25H2.
What are the key properties of 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole?
9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole has a molecular weight of 589.78 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole is sourced from PubChem (CID 156577016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).