N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline

C55H40N2 — CID 170138007

IUPACN-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)47-26-9-5-23-46(47)54-45(25-16-27-48(54)55)44-22-8-10-28-49(44)56(39-35-33-38(34-36-39)41-24-15-18-37-17-3-4-19-40(37)41)52-31-13-14-32-53(52)57-50-29-11-6-20-42(50)43-21-7-12-30-51(43)57/h3-36H,1-2H3
InChIKeyKXXCDQOBBUNHSP-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-1-ylphenyl)aniline

N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 170138007) 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-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID170138007
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-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)47-26-9-5-23-46(47)54-45(25-16-27-48(54)55)44-22-8-10-28-49(44)56(39-35-33-38(34-36-39)41-24-15-18-37-17-3-4-19-40(37)41)52-31-13-14-32-53(52)57-50-29-11-6-20-42(50)43-21-7-12-30-51(43)57/h3-36H,1-2H3
InChIKeyKXXCDQOBBUNHSP-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-2-ylphenyl)aniline
CID 170138005
N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170138074
N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine
CID 170138083
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107
N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139567856
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
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-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 168809228
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 170138007) is N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is KXXCDQOBBUNHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)47-26-9-5-23-46(47)54-45(25-16-27-48(54)55)44-22-8-10-28-49(44)56(39-35-33-38(34-36-39)41-24-15-18-37-17-3-4-19-40(37)41)52-31-13-14-32-53(52)57-50-29-11-6-20-42(50)43-21-7-12-30-51(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-1-ylphenyl)aniline?
N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-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-1-ylphenyl)aniline is sourced from PubChem (CID 170138007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).