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

C43H29N — CID 90164584

IUPAC9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccc5cc(-n6c7ccccc7c7ccccc76)cc6ccc(c3)c4c56)cc21
InChIInChI=1S/C43H29N/c1-43(2)37-12-6-3-9-33(37)34-20-19-26(25-38(34)43)31-21-27-15-17-29-23-32(24-30-18-16-28(22-31)41(27)42(29)30)44-39-13-7-4-10-35(39)36-11-5-8-14-40(36)44/h3-25H,1-2H3
InChIKeyUHJRBFOVBZRMLS-UHFFFAOYSA-N
MW559.71 g/mol
LogP11.65
Rot. Bonds2

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

9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole (PubChem CID 90164584) has the molecular formula C43H29N and a molecular weight of 559.71 g/mol. Its IUPAC name is 9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole.

Molecular Properties

Compound Name9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole
PubChem CID90164584
Molecular FormulaC43H29N
Molecular Weight559.71 g/mol
Exact Mass559.23
IUPAC Name9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccc5cc(-n6c7ccccc7c7ccccc76)cc6ccc(c3)c4c56)cc21
InChIInChI=1S/C43H29N/c1-43(2)37-12-6-3-9-33(37)34-20-19-26(25-38(34)43)31-21-27-15-17-29-23-32(24-30-18-16-28(22-31)41(27)42(29)30)44-39-13-7-4-10-35(39)36-11-5-8-14-40(36)44/h3-25H,1-2H3
InChIKeyUHJRBFOVBZRMLS-UHFFFAOYSA-N
XLogP11.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 511.65
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)phenanthren-2-yl]carbazole
CID 118595114
3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
CID 130295137
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
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
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
9-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene
CID 160753270
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-(9,9-dimethylfluoren-2-yl)-15-phenyl-10-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123512270
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240

Frequently Asked Questions

What is the IUPAC name of 9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole?
The IUPAC name of 9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole (CID 90164584) is 9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole.
What is the SMILES notation for 9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole?
The canonical SMILES for 9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc4ccc5cc(-n6c7ccccc7c7ccccc76)cc6ccc(c3)c4c56)cc21.
What is the InChIKey of 9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole?
The InChIKey is UHJRBFOVBZRMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N/c1-43(2)37-12-6-3-9-33(37)34-20-19-26(25-38(34)43)31-21-27-15-17-29-23-32(24-30-18-16-28(22-31)41(27)42(29)30)44-39-13-7-4-10-35(39)36-11-5-8-14-40(36)44/h3-25H,1-2H3.
What are the key properties of 9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole?
9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole has a molecular weight of 559.71 g/mol, XLogP of 11.65, 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)pyren-2-yl]carbazole is sourced from PubChem (CID 90164584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).