4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline

C63H51N — CID 164744709

IUPAC4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline
SMILESCC1(C)C(c2ccc(N(c3ccc(C4=Cc5ccc6ccccc6c5C4(C)C)cc3)c3ccc(C4=Cc5ccc6ccccc6c5C4(C)C)cc3)cc2)=Cc2ccc3ccccc3c21
InChIInChI=1S/C63H51N/c1-61(2)55(37-46-22-19-40-13-7-10-16-52(40)58(46)61)43-25-31-49(32-26-43)64(50-33-27-44(28-34-50)56-38-47-23-20-41-14-8-11-17-53(41)59(47)62(56,3)4)51-35-29-45(30-36-51)57-39-48-24-21-42-15-9-12-18-54(42)60(48)63(57,5)6/h7-39H,1-6H3
InChIKeyNOWYMDBZIWMMIA-UHFFFAOYSA-N
MW822.11 g/mol
LogP17.11
Rot. Bonds6

About 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline

4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline (PubChem CID 164744709) has the molecular formula C63H51N and a molecular weight of 822.11 g/mol. Its IUPAC name is 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline
PubChem CID164744709
Molecular FormulaC63H51N
Molecular Weight822.11 g/mol
Exact Mass821.40
IUPAC Name4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline
SMILESCC1(C)C(c2ccc(N(c3ccc(C4=Cc5ccc6ccccc6c5C4(C)C)cc3)c3ccc(C4=Cc5ccc6ccccc6c5C4(C)C)cc3)cc2)=Cc2ccc3ccccc3c21
InChIInChI=1S/C63H51N/c1-61(2)55(37-46-22-19-40-13-7-10-16-52(40)58(46)61)43-25-31-49(32-26-43)64(50-33-27-44(28-34-50)56-38-47-23-20-41-14-8-11-17-53(41)59(47)62(56,3)4)51-35-29-45(30-36-51)57-39-48-24-21-42-15-9-12-18-54(42)60(48)63(57,5)6/h7-39H,1-6H3
InChIKeyNOWYMDBZIWMMIA-UHFFFAOYSA-N
XLogP17.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.11
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744877
N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline
CID 164744849
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline
CID 164744739
3-N-(11,11-dimethylbenzo[a]fluoren-8-yl)-1-N,1-N-diphenyl-3-N-[3-(N-(4-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 146601454
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744580
N-(4-chrysen-3-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 170139377
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
9,9-dimethyl-7-phenanthren-4-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118369438
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine
CID 160513135
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline?
The IUPAC name of 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline (CID 164744709) is 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline?
The canonical SMILES for 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline is CC1(C)C(c2ccc(N(c3ccc(C4=Cc5ccc6ccccc6c5C4(C)C)cc3)c3ccc(C4=Cc5ccc6ccccc6c5C4(C)C)cc3)cc2)=Cc2ccc3ccccc3c21.
What is the InChIKey of 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline?
The InChIKey is NOWYMDBZIWMMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N/c1-61(2)55(37-46-22-19-40-13-7-10-16-52(40)58(46)61)43-25-31-49(32-26-43)64(50-33-27-44(28-34-50)56-38-47-23-20-41-14-8-11-17-53(41)59(47)62(56,3)4)51-35-29-45(30-36-51)57-39-48-24-21-42-15-9-12-18-54(42)60(48)63(57,5)6/h7-39H,1-6H3.
What are the key properties of 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline?
4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline has a molecular weight of 822.11 g/mol, XLogP of 17.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)-N,N-bis[4-(1,1-dimethylcyclopenta[a]naphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 164744709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).