(3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine

C42H36BrN — CID 163949625

IUPAC(3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(Br)ccc5-4)C4CC5CC(C4)[C@H]3C5)cc21
InChIInChI=1S/C42H36BrN/c1-41(2)36-11-7-6-10-32(36)33-16-13-30(23-38(33)41)44(29-8-4-3-5-9-29)31-14-17-35-34-15-12-28(43)22-39(34)42(40(35)24-31)27-19-25-18-26(21-27)37(42)20-25/h3-17,22-27,37H,18-21H2,1-2H3/t25?,26?,27?,37-,42?/m1/s1
InChIKeyRYEKMPQEGKFBRD-PZGCQMTASA-N
MW634.66 g/mol
LogP11.56
Rot. Bonds3

About (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine

(3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine (PubChem CID 163949625) has the molecular formula C42H36BrN and a molecular weight of 634.66 g/mol. Its IUPAC name is (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine.

Molecular Properties

Compound Name(3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine
PubChem CID163949625
Molecular FormulaC42H36BrN
Molecular Weight634.66 g/mol
Exact Mass633.20
IUPAC Name(3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(Br)ccc5-4)C4CC5CC(C4)[C@H]3C5)cc21
InChIInChI=1S/C42H36BrN/c1-41(2)36-11-7-6-10-32(36)33-16-13-30(23-38(33)41)44(29-8-4-3-5-9-29)31-14-17-35-34-15-12-28(43)22-39(34)42(40(35)24-31)27-19-25-18-26(21-27)37(42)20-25/h3-17,22-27,37H,18-21H2,1-2H3/t25?,26?,27?,37-,42?/m1/s1
InChIKeyRYEKMPQEGKFBRD-PZGCQMTASA-N
XLogP11.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.66
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-amine
CID 170085576
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 155393732
N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156573739
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744605
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916

Frequently Asked Questions

What is the IUPAC name of (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine?
The IUPAC name of (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine (CID 163949625) is (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine.
What is the SMILES notation for (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine?
The canonical SMILES for (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(Br)ccc5-4)C4CC5CC(C4)[C@H]3C5)cc21.
What is the InChIKey of (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine?
The InChIKey is RYEKMPQEGKFBRD-PZGCQMTASA-N. The full InChI is InChI=1S/C42H36BrN/c1-41(2)36-11-7-6-10-32(36)33-16-13-30(23-38(33)41)44(29-8-4-3-5-9-29)31-14-17-35-34-15-12-28(43)22-39(34)42(40(35)24-31)27-19-25-18-26(21-27)37(42)20-25/h3-17,22-27,37H,18-21H2,1-2H3/t25?,26?,27?,37-,42?/m1/s1.
What are the key properties of (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine?
(3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine has a molecular weight of 634.66 g/mol, XLogP of 11.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine is sourced from PubChem (CID 163949625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).