2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine

C64H52N4 — CID 134535870

IUPAC2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine
SMILESCC1(C)c2ccc(-c3ccc(Nc4ccccc4Nc4cccc5ccccc45)c4c3C(C)(C)c3ccccc3-4)cc2-c2c(Nc3ccccc3Nc3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C64H52N4/c1-63(2)51-38-34-44(40-49(51)60-52(63)25-17-31-58(60)67-55-27-13-12-26-54(55)65-45-35-32-42(33-36-45)41-18-6-5-7-19-41)47-37-39-59(61-48-23-10-11-24-50(48)64(3,4)62(47)61)68-57-29-15-14-28-56(57)66-53-30-16-21-43-20-8-9-22-46(43)53/h5-40,65-68H,1-4H3
InChIKeyJLZYCBPRNSBZDA-UHFFFAOYSA-N
MW877.15 g/mol
LogP17.76
Rot. Bonds10

About 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine

2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine (PubChem CID 134535870) has the molecular formula C64H52N4 and a molecular weight of 877.15 g/mol. Its IUPAC name is 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine
PubChem CID134535870
Molecular FormulaC64H52N4
Molecular Weight877.15 g/mol
Exact Mass876.42
IUPAC Name2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine
SMILESCC1(C)c2ccc(-c3ccc(Nc4ccccc4Nc4cccc5ccccc45)c4c3C(C)(C)c3ccccc3-4)cc2-c2c(Nc3ccccc3Nc3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C64H52N4/c1-63(2)51-38-34-44(40-49(51)60-52(63)25-17-31-58(60)67-55-27-13-12-26-54(55)65-45-35-32-42(33-36-45)41-18-6-5-7-19-41)47-37-39-59(61-48-23-10-11-24-50(48)64(3,4)62(47)61)68-57-29-15-14-28-56(57)66-53-30-16-21-43-20-8-9-22-46(43)53/h5-40,65-68H,1-4H3
InChIKeyJLZYCBPRNSBZDA-UHFFFAOYSA-N
XLogP17.76
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.15
LogP ≤ 517.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine with MolForge

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Related Compounds

N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
CID 177114163
N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline
CID 118198686
9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 121358619
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
CID 170289309
4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
CID 118682439
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168801776
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315

Frequently Asked Questions

What is the IUPAC name of 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine (CID 134535870) is 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine is CC1(C)c2ccc(-c3ccc(Nc4ccccc4Nc4cccc5ccccc45)c4c3C(C)(C)c3ccccc3-4)cc2-c2c(Nc3ccccc3Nc3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine?
The InChIKey is JLZYCBPRNSBZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N4/c1-63(2)51-38-34-44(40-49(51)60-52(63)25-17-31-58(60)67-55-27-13-12-26-54(55)65-45-35-32-42(33-36-45)41-18-6-5-7-19-41)47-37-39-59(61-48-23-10-11-24-50(48)64(3,4)62(47)61)68-57-29-15-14-28-56(57)66-53-30-16-21-43-20-8-9-22-46(43)53/h5-40,65-68H,1-4H3.
What are the key properties of 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine?
2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine has a molecular weight of 877.15 g/mol, XLogP of 17.76, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 134535870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).