N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline

C55H40N2 — CID 170138005

IUPACN-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)47-23-9-5-21-46(47)54-45(22-15-24-48(54)55)44-20-8-10-25-49(44)56(41-34-32-38(33-35-41)40-31-30-37-16-3-4-17-39(37)36-40)52-28-13-14-29-53(52)57-50-26-11-6-18-42(50)43-19-7-12-27-51(43)57/h3-36H,1-2H3
InChIKeyDCDNNFZAWPJVPT-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline

N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 170138005) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID170138005
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC NameN-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)47-23-9-5-21-46(47)54-45(22-15-24-48(54)55)44-20-8-10-25-49(44)56(41-34-32-38(33-35-41)40-31-30-37-16-3-4-17-39(37)36-40)52-28-13-14-29-53(52)57-50-26-11-6-18-42(50)43-19-7-12-27-51(43)57/h3-36H,1-2H3
InChIKeyDCDNNFZAWPJVPT-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170138007
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine
CID 170138083
N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170138074
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019753
N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326322
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]fluoren-4-amine
CID 169019982
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 170142818
2-carbazol-9-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566092

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 170138005) is N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is DCDNNFZAWPJVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)47-23-9-5-21-46(47)54-45(22-15-24-48(54)55)44-20-8-10-25-49(44)56(41-34-32-38(33-35-41)40-31-30-37-16-3-4-17-39(37)36-40)52-28-13-14-29-53(52)57-50-26-11-6-18-42(50)43-19-7-12-27-51(43)57/h3-36H,1-2H3.
What are the key properties of N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 728.94 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 170138005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).