9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine

C55H43N — CID 121321577

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3C3=CCC(c4ccccc4)C=C3)c3cccc4ccccc34)cc21
InChIInChI=1S/C55H43N/c1-55(2)51-36-45(42-26-24-40(25-27-42)38-14-5-3-6-15-38)32-34-49(51)50-35-33-46(37-52(50)55)56(54-23-13-19-43-18-9-10-20-47(43)54)53-22-12-11-21-48(53)44-30-28-41(29-31-44)39-16-7-4-8-17-39/h3-28,30-37,41H,29H2,1-2H3
InChIKeyXSCOVYRQXMLQKJ-UHFFFAOYSA-N
MW717.96 g/mol
LogP15.08
Rot. Bonds7

About 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine (PubChem CID 121321577) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine
PubChem CID121321577
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3C3=CCC(c4ccccc4)C=C3)c3cccc4ccccc34)cc21
InChIInChI=1S/C55H43N/c1-55(2)51-36-45(42-26-24-40(25-27-42)38-14-5-3-6-15-38)32-34-49(51)50-35-33-46(37-52(50)55)56(54-23-13-19-43-18-9-10-20-47(43)54)53-22-12-11-21-48(53)44-30-28-41(29-31-44)39-16-7-4-8-17-39/h3-28,30-37,41H,29H2,1-2H3
InChIKeyXSCOVYRQXMLQKJ-UHFFFAOYSA-N
XLogP15.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170181217
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-1-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-2-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(3-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 157496502
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine (CID 121321577) is 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3C3=CCC(c4ccccc4)C=C3)c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XSCOVYRQXMLQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-55(2)51-36-45(42-26-24-40(25-27-42)38-14-5-3-6-15-38)32-34-49(51)50-35-33-46(37-52(50)55)56(54-23-13-19-43-18-9-10-20-47(43)54)53-22-12-11-21-48(53)44-30-28-41(29-31-44)39-16-7-4-8-17-39/h3-28,30-37,41H,29H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 717.96 g/mol, XLogP of 15.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 121321577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).