N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine

C52H43N — CID 167293388

IUPACN-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CCC3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C52H43N/c1-51(2)45-28-12-10-22-39(45)41-32-31-36(33-47(41)51)53(35-19-6-5-7-20-35)48-30-16-25-42(38-24-14-18-34-17-8-9-21-37(34)38)49(48)44-27-15-26-43-40-23-11-13-29-46(40)52(3,4)50(43)44/h5-6,8-19,21-33H,7,20H2,1-4H3
InChIKeyJWFBKLSJBVRVOD-UHFFFAOYSA-N
MW681.92 g/mol
LogP14.16
Rot. Bonds5

About N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine

N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 167293388) has the molecular formula C52H43N and a molecular weight of 681.92 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine
PubChem CID167293388
Molecular FormulaC52H43N
Molecular Weight681.92 g/mol
Exact Mass681.34
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CCC3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C52H43N/c1-51(2)45-28-12-10-22-39(45)41-32-31-36(33-47(41)51)53(35-19-6-5-7-20-35)48-30-16-25-42(38-24-14-18-34-17-8-9-21-37(34)38)49(48)44-27-15-26-43-40-23-11-13-29-46(40)52(3,4)50(43)44/h5-6,8-19,21-33H,7,20H2,1-4H3
InChIKeyJWFBKLSJBVRVOD-UHFFFAOYSA-N
XLogP14.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.92
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034
N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285674
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenanthren-2-amine
CID 170216868
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114
N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 177097181

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine (CID 167293388) is N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CC=CCC3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4c3C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is JWFBKLSJBVRVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N/c1-51(2)45-28-12-10-22-39(45)41-32-31-36(33-47(41)51)53(35-19-6-5-7-20-35)48-30-16-25-42(38-24-14-18-34-17-8-9-21-37(34)38)49(48)44-27-15-26-43-40-23-11-13-29-46(40)52(3,4)50(43)44/h5-6,8-19,21-33H,7,20H2,1-4H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine?
N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 681.92 g/mol, XLogP of 14.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 167293388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).