9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole

C41H29N — CID 118595114

IUPAC9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(ccc5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)cc21
InChIInChI=1S/C41H29N/c1-41(2)37-12-6-3-9-33(37)34-21-18-27(25-38(34)41)26-17-20-31-28(23-26)15-16-29-24-30(19-22-32(29)31)42-39-13-7-4-10-35(39)36-11-5-8-14-40(36)42/h3-25H,1-2H3
InChIKeyXHQAXFMCKFSUJR-UHFFFAOYSA-N
MW535.69 g/mol
LogP11.06
Rot. Bonds2

About 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole

9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole (PubChem CID 118595114) has the molecular formula C41H29N and a molecular weight of 535.69 g/mol. Its IUPAC name is 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole.

Molecular Properties

Compound Name9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
PubChem CID118595114
Molecular FormulaC41H29N
Molecular Weight535.69 g/mol
Exact Mass535.23
IUPAC Name9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(ccc5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)cc21
InChIInChI=1S/C41H29N/c1-41(2)37-12-6-3-9-33(37)34-21-18-27(25-38(34)41)26-17-20-31-28(23-26)15-16-29-24-30(19-22-32(29)31)42-39-13-7-4-10-35(39)36-11-5-8-14-40(36)42/h3-25H,1-2H3
InChIKeyXHQAXFMCKFSUJR-UHFFFAOYSA-N
XLogP11.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole
CID 90164584
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158579242
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159107131
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995

Frequently Asked Questions

What is the IUPAC name of 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole?
The IUPAC name of 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole (CID 118595114) is 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole.
What is the SMILES notation for 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole?
The canonical SMILES for 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(ccc5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)cc21.
What is the InChIKey of 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole?
The InChIKey is XHQAXFMCKFSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N/c1-41(2)37-12-6-3-9-33(37)34-21-18-27(25-38(34)41)26-17-20-31-28(23-26)15-16-29-24-30(19-22-32(29)31)42-39-13-7-4-10-35(39)36-11-5-8-14-40(36)42/h3-25H,1-2H3.
What are the key properties of 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole?
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole has a molecular weight of 535.69 g/mol, XLogP of 11.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole is sourced from PubChem (CID 118595114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).