N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine

C53H43N — CID 142481147

IUPACN-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=Cc4ccccc4CC3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccccc43)cc21
InChIInChI=1S/C53H43N/c1-51(2)43-19-9-7-17-39(43)41-29-27-37(32-49(41)51)54(36-26-25-34-15-5-6-16-35(34)31-36)38-28-30-42-40-18-8-10-20-44(40)53(50(42)33-38)47-23-13-11-21-45(47)52(3,4)46-22-12-14-24-48(46)53/h5-24,27-33H,25-26H2,1-4H3
InChIKeyBMWOLQGSOMCJME-UHFFFAOYSA-N
MW693.93 g/mol
LogP13.12
Rot. Bonds3

About N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine

N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine (PubChem CID 142481147) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine
PubChem CID142481147
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC NameN-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=Cc4ccccc4CC3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccccc43)cc21
InChIInChI=1S/C53H43N/c1-51(2)43-19-9-7-17-39(43)41-29-27-37(32-49(41)51)54(36-26-25-34-15-5-6-16-35(34)31-36)38-28-30-42-40-18-8-10-20-44(40)53(50(42)33-38)47-23-13-11-21-45(47)52(3,4)46-22-12-14-24-48(46)53/h5-24,27-33H,25-26H2,1-4H3
InChIKeyBMWOLQGSOMCJME-UHFFFAOYSA-N
XLogP13.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine
CID 146578293
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 146578858
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine?
The IUPAC name of N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine (CID 142481147) is N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine?
The canonical SMILES for N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(C3=Cc4ccccc4CC3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccccc43)cc21.
What is the InChIKey of N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine?
The InChIKey is BMWOLQGSOMCJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N/c1-51(2)43-19-9-7-17-39(43)41-29-27-37(32-49(41)51)54(36-26-25-34-15-5-6-16-35(34)31-36)38-28-30-42-40-18-8-10-20-44(40)53(50(42)33-38)47-23-13-11-21-45(47)52(3,4)46-22-12-14-24-48(46)53/h5-24,27-33H,25-26H2,1-4H3.
What are the key properties of N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine?
N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 693.93 g/mol, XLogP of 13.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 142481147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).