N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C58H44N2 — CID 168809274

IUPACN-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C58H44N2/c1-57(2)51-24-11-7-20-44(51)46-30-28-40(35-53(46)57)59(41-29-31-47-45-21-8-12-25-52(45)58(3,4)54(47)36-41)39-18-15-17-38(32-39)50-34-42(33-37-16-5-6-19-43(37)50)60-55-26-13-9-22-48(55)49-23-10-14-27-56(49)60/h5-36H,1-4H3
InChIKeyCVAKJDZFWNTKAB-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.69
Rot. Bonds5

About N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 168809274) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID168809274
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC NameN-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C58H44N2/c1-57(2)51-24-11-7-20-44(51)46-30-28-40(35-53(46)57)59(41-29-31-47-45-21-8-12-25-52(45)58(3,4)54(47)36-41)39-18-15-17-38(32-39)50-34-42(33-37-16-5-6-19-43(37)50)60-55-26-13-9-22-48(55)49-23-10-14-27-56(49)60/h5-36H,1-4H3
InChIKeyCVAKJDZFWNTKAB-UHFFFAOYSA-N
XLogP15.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 58390128
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390079
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389884
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389919
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 58390108
3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 168809207

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 168809274) is N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is CVAKJDZFWNTKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-57(2)51-24-11-7-20-44(51)46-30-28-40(35-53(46)57)59(41-29-31-47-45-21-8-12-25-52(45)58(3,4)54(47)36-41)39-18-15-17-38(32-39)50-34-42(33-37-16-5-6-19-43(37)50)60-55-26-13-9-22-48(55)49-23-10-14-27-56(49)60/h5-36H,1-4H3.
What are the key properties of N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 769.00 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168809274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).