N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine

C51H35N — CID 66807487

IUPACN-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine
SMILESC1=C(c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)CCC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C51H35N/c1-3-17-39-35(13-1)15-11-25-49(39)52(50-26-12-16-36-14-2-4-18-40(36)50)38-30-27-34(28-31-38)37-29-32-44-43-21-7-10-24-47(43)51(48(44)33-37)45-22-8-5-19-41(45)42-20-6-9-23-46(42)51/h1-28,30-31,33H,29,32H2
InChIKeyMCCVMLXFKDPRFR-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.42
Rot. Bonds4

About N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine

N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine (PubChem CID 66807487) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine
PubChem CID66807487
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine
SMILESC1=C(c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)CCC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C51H35N/c1-3-17-39-35(13-1)15-11-25-49(39)52(50-26-12-16-36-14-2-4-18-40(36)50)38-30-27-34(28-31-38)37-29-32-44-43-21-7-10-24-47(43)51(48(44)33-37)45-22-8-5-19-41(45)42-20-6-9-23-46(42)51/h1-28,30-31,33H,29,32H2
InChIKeyMCCVMLXFKDPRFR-UHFFFAOYSA-N
XLogP13.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 70854334
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949
N-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 166694657
N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 145067612
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
CID 153308803
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 170240704
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine (CID 66807487) is N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine is C1=C(c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)CCC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine?
The InChIKey is MCCVMLXFKDPRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-3-17-39-35(13-1)15-11-25-49(39)52(50-26-12-16-36-14-2-4-18-40(36)50)38-30-27-34(28-31-38)37-29-32-44-43-21-7-10-24-47(43)51(48(44)33-37)45-22-8-5-19-41(45)42-20-6-9-23-46(42)51/h1-28,30-31,33H,29,32H2.
What are the key properties of N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine?
N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine has a molecular weight of 661.85 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 66807487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).