9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine

C39H32N2 — CID 129301076

IUPAC9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine
SMILESC=C1/C=C\C=C/N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)c2ccccc21
InChIInChI=1S/C39H32N2/c1-28-14-12-13-25-40(38-20-11-10-19-33(28)38)31-21-23-34-35-24-22-32(27-37(35)39(2,3)36(34)26-31)41(29-15-6-4-7-16-29)30-17-8-5-9-18-30/h4-27H,1H2,2-3H3/b14-12-,25-13-
InChIKeyWSHVVVYECJFRJV-OVECIECSSA-N
MW528.70 g/mol
LogP10.70
Rot. Bonds4

About 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine

9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine (PubChem CID 129301076) has the molecular formula C39H32N2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine
PubChem CID129301076
Molecular FormulaC39H32N2
Molecular Weight528.70 g/mol
Exact Mass528.26
IUPAC Name9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine
SMILESC=C1/C=C\C=C/N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)c2ccccc21
InChIInChI=1S/C39H32N2/c1-28-14-12-13-25-40(38-20-11-10-19-33(28)38)31-21-23-34-35-24-22-32(27-37(35)39(2,3)36(34)26-31)41(29-15-6-4-7-16-29)30-17-8-5-9-18-30/h4-27H,1H2,2-3H3/b14-12-,25-13-
InChIKeyWSHVVVYECJFRJV-OVECIECSSA-N
XLogP10.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine with MolForge

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Related Compounds

(2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine
CID 143437975
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine
CID 166025148
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole
CID 142355676
10,10,20,20,21,21-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-amine
CID 163520415
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine (CID 129301076) is 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine is C=C1/C=C\C=C/N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine?
The InChIKey is WSHVVVYECJFRJV-OVECIECSSA-N. The full InChI is InChI=1S/C39H32N2/c1-28-14-12-13-25-40(38-20-11-10-19-33(28)38)31-21-23-34-35-24-22-32(27-37(35)39(2,3)36(34)26-31)41(29-15-6-4-7-16-29)30-17-8-5-9-18-30/h4-27H,1H2,2-3H3/b14-12-,25-13-.
What are the key properties of 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine?
9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine has a molecular weight of 528.70 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 129301076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).