N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine

C66H48FN3 — CID 59171719

IUPACN-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)ccc3-4)cc21
InChIInChI=1S/C66H48FN3/c1-65(2)57-17-9-5-13-49(57)51-34-31-47(39-59(51)65)68(44-27-29-46(30-28-44)69-61-18-10-6-14-53(61)54-15-7-11-19-62(54)69)48-32-35-52-50-33-21-42(38-58(50)66(3,4)60(52)40-48)41-22-36-64-56(37-41)55-16-8-12-20-63(55)70(64)45-25-23-43(67)24-26-45/h5-40H,1-4H3
InChIKeySYQGAGDWTDTAJC-UHFFFAOYSA-N
MW902.13 g/mol
LogP17.77
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine

N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 59171719) has the molecular formula C66H48FN3 and a molecular weight of 902.13 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine
PubChem CID59171719
Molecular FormulaC66H48FN3
Molecular Weight902.13 g/mol
Exact Mass901.38
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)ccc3-4)cc21
InChIInChI=1S/C66H48FN3/c1-65(2)57-17-9-5-13-49(57)51-34-31-47(39-59(51)65)68(44-27-29-46(30-28-44)69-61-18-10-6-14-53(61)54-15-7-11-19-62(54)69)48-32-35-52-50-33-21-42(38-58(50)66(3,4)60(52)40-48)41-22-36-64-56(37-41)55-16-8-12-20-63(55)70(64)45-25-23-43(67)24-26-45/h5-40H,1-4H3
InChIKeySYQGAGDWTDTAJC-UHFFFAOYSA-N
XLogP17.77
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.13
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine (CID 59171719) is N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)ccc3-4)cc21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine?
The InChIKey is SYQGAGDWTDTAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48FN3/c1-65(2)57-17-9-5-13-49(57)51-34-31-47(39-59(51)65)68(44-27-29-46(30-28-44)69-61-18-10-6-14-53(61)54-15-7-11-19-62(54)69)48-32-35-52-50-33-21-42(38-58(50)66(3,4)60(52)40-48)41-22-36-64-56(37-41)55-16-8-12-20-63(55)70(64)45-25-23-43(67)24-26-45/h5-40H,1-4H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine?
N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 902.13 g/mol, XLogP of 17.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 59171719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).