7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine

C34H30BrN — CID 168734167

IUPAC7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESBrc1ccc2c(c1)C1(c3cccc(N(c4ccccc4)c4ccccc4)c3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H30BrN/c35-26-14-15-29-31(21-26)34(24-17-22-16-23(19-24)20-25(34)18-22)30-12-7-13-32(33(29)30)36(27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-15,21-25H,16-20H2
InChIKeySCCZPDHNLABESS-UHFFFAOYSA-N
MW532.53 g/mol
LogP9.64
Rot. Bonds3

About 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine

7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 168734167) has the molecular formula C34H30BrN and a molecular weight of 532.53 g/mol. Its IUPAC name is 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound Name7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID168734167
Molecular FormulaC34H30BrN
Molecular Weight532.53 g/mol
Exact Mass531.16
IUPAC Name7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESBrc1ccc2c(c1)C1(c3cccc(N(c4ccccc4)c4ccccc4)c3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H30BrN/c35-26-14-15-29-31(21-26)34(24-17-22-16-23(19-24)20-25(34)18-22)30-12-7-13-32(33(29)30)36(27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-15,21-25H,16-20H2
InChIKeySCCZPDHNLABESS-UHFFFAOYSA-N
XLogP9.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722460
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 167056455
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
1-N,6-N-diphenyl-6-N-spiro[adamantane-2,9'-fluorene]-3'-yl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 166050368
6-N-(9,9-dimethylfluoren-2-yl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 156533302
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722415
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168723059
N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
CID 168722546
N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595545
CID 174099797
CID 174099797
7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine
CID 155407257

Frequently Asked Questions

What is the IUPAC name of 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine (CID 168734167) is 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine is Brc1ccc2c(c1)C1(c3cccc(N(c4ccccc4)c4ccccc4)c3-2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is SCCZPDHNLABESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30BrN/c35-26-14-15-29-31(21-26)34(24-17-22-16-23(19-24)20-25(34)18-22)30-12-7-13-32(33(29)30)36(27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-15,21-25H,16-20H2.
What are the key properties of 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine?
7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 532.53 g/mol, XLogP of 9.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 168734167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).