9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole

C55H43N — CID 166895501

IUPAC9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(C(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cccc(-n6c7ccccc7c7ccccc76)c4-5)cc3)cc21
InChIInChI=1S/C55H43N/c1-54(2)45-20-11-8-17-40(45)41-31-29-38(33-47(41)54)35-25-27-37(28-26-35)52(36-15-6-5-7-16-36)39-30-32-44-48(34-39)55(3,4)46-21-14-24-51(53(44)46)56-49-22-12-9-18-42(49)43-19-10-13-23-50(43)56/h5-34,52H,1-4H3
InChIKeyUIMUXWHLLJGZKP-UHFFFAOYSA-N
MW717.96 g/mol
LogP14.24
Rot. Bonds5

About 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole

9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole (PubChem CID 166895501) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole.

Molecular Properties

Compound Name9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole
PubChem CID166895501
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC Name9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(C(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cccc(-n6c7ccccc7c7ccccc76)c4-5)cc3)cc21
InChIInChI=1S/C55H43N/c1-54(2)45-20-11-8-17-40(45)41-31-29-38(33-47(41)54)35-25-27-37(28-26-35)52(36-15-6-5-7-16-36)39-30-32-44-48(34-39)55(3,4)46-21-14-24-51(53(44)46)56-49-22-12-9-18-42(49)43-19-10-13-23-50(43)56/h5-34,52H,1-4H3
InChIKeyUIMUXWHLLJGZKP-UHFFFAOYSA-N
XLogP14.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole
CID 139540569
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene
CID 169280508
N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166890236
CID 118153752
CID 118153752
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139567856

Frequently Asked Questions

What is the IUPAC name of 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole?
The IUPAC name of 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole (CID 166895501) is 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole.
What is the SMILES notation for 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole?
The canonical SMILES for 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(C(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cccc(-n6c7ccccc7c7ccccc76)c4-5)cc3)cc21.
What is the InChIKey of 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole?
The InChIKey is UIMUXWHLLJGZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-54(2)45-20-11-8-17-40(45)41-31-29-38(33-47(41)54)35-25-27-37(28-26-35)52(36-15-6-5-7-16-36)39-30-32-44-48(34-39)55(3,4)46-21-14-24-51(53(44)46)56-49-22-12-9-18-42(49)43-19-10-13-23-50(43)56/h5-34,52H,1-4H3.
What are the key properties of 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole?
9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole has a molecular weight of 717.96 g/mol, XLogP of 14.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole is sourced from PubChem (CID 166895501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).