N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine

C30H35N3 — CID 143207740

IUPACN'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine
SMILESCCC1(C)c2cc(C3=CCCC=C3CNCN)ccc2-c2ccc(C3=C(N)CCC=C3)cc21
InChIInChI=1S/C30H35N3/c1-3-30(2)27-16-20(23-9-5-4-8-22(23)18-33-19-31)12-14-25(27)26-15-13-21(17-28(26)30)24-10-6-7-11-29(24)32/h6,8-10,12-17,33H,3-5,7,11,18-19,31-32H2,1-2H3
InChIKeyFNTZYDOTJPHPQU-UHFFFAOYSA-N
MW437.63 g/mol
LogP6.01
Rot. Bonds6

About N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine

N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine (PubChem CID 143207740) has the molecular formula C30H35N3 and a molecular weight of 437.63 g/mol. Its IUPAC name is N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine.

Molecular Properties

Compound NameN'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine
PubChem CID143207740
Molecular FormulaC30H35N3
Molecular Weight437.63 g/mol
Exact Mass437.28
IUPAC NameN'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine
SMILESCCC1(C)c2cc(C3=CCCC=C3CNCN)ccc2-c2ccc(C3=C(N)CCC=C3)cc21
InChIInChI=1S/C30H35N3/c1-3-30(2)27-16-20(23-9-5-4-8-22(23)18-33-19-31)12-14-25(27)26-15-13-21(17-28(26)30)24-10-6-7-11-29(24)32/h6,8-10,12-17,33H,3-5,7,11,18-19,31-32H2,1-2H3
InChIKeyFNTZYDOTJPHPQU-UHFFFAOYSA-N
XLogP6.01
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine with MolForge

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Related Compounds

2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine
CID 135199373
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
2-cyclohexa-1,5-dien-1-yl-7-iodo-9,9-dimethylfluorene
CID 70987003
2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene
CID 70999827
7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene
CID 145093522
9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
6-[3-[7-(4-dibenzothiophen-4-ylphenyl)-9-ethyl-9-methylfluoren-2-yl]phenyl]-9,10-dihydrophenanthro[9,10-b]pyrazine
CID 129076014
1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
CID 178165621
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
N-[4-[4-[6-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 68546573
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891

Frequently Asked Questions

What is the IUPAC name of N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine?
The IUPAC name of N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine (CID 143207740) is N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine.
What is the SMILES notation for N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine?
The canonical SMILES for N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine is CCC1(C)c2cc(C3=CCCC=C3CNCN)ccc2-c2ccc(C3=C(N)CCC=C3)cc21.
What is the InChIKey of N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine?
The InChIKey is FNTZYDOTJPHPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3/c1-3-30(2)27-16-20(23-9-5-4-8-22(23)18-33-19-31)12-14-25(27)26-15-13-21(17-28(26)30)24-10-6-7-11-29(24)32/h6,8-10,12-17,33H,3-5,7,11,18-19,31-32H2,1-2H3.
What are the key properties of N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine?
N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine has a molecular weight of 437.63 g/mol, XLogP of 6.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine is sourced from PubChem (CID 143207740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).