2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine

C39H44N2 — CID 89017170

IUPAC2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine
SMILESCC1(C)C2=C(CCC(N(C3=CCCC=C3)C3C=CC=CC3)=C2)C2=CC=C(N(C3=CCCC=C3)C3C=CC=CC3)CC21
InChIInChI=1S/C39H44N2/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3,5,7-9,11-13,15,17-19,21-23,25,28-29,31,37H,4,6,10,14,16,20,24,26-27H2,1-2H3
InChIKeyQCXOQNAUQCPNHR-UHFFFAOYSA-N
MW540.80 g/mol
LogP9.67
Rot. Bonds6

About 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine

2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine (PubChem CID 89017170) has the molecular formula C39H44N2 and a molecular weight of 540.80 g/mol. Its IUPAC name is 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine
PubChem CID89017170
Molecular FormulaC39H44N2
Molecular Weight540.80 g/mol
Exact Mass540.35
IUPAC Name2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine
SMILESCC1(C)C2=C(CCC(N(C3=CCCC=C3)C3C=CC=CC3)=C2)C2=CC=C(N(C3=CCCC=C3)C3C=CC=CC3)CC21
InChIInChI=1S/C39H44N2/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3,5,7-9,11-13,15,17-19,21-23,25,28-29,31,37H,4,6,10,14,16,20,24,26-27H2,1-2H3
InChIKeyQCXOQNAUQCPNHR-UHFFFAOYSA-N
XLogP9.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.80
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine (CID 89017170) is 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine is CC1(C)C2=C(CCC(N(C3=CCCC=C3)C3C=CC=CC3)=C2)C2=CC=C(N(C3=CCCC=C3)C3C=CC=CC3)CC21.
What is the InChIKey of 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The InChIKey is QCXOQNAUQCPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N2/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3,5,7-9,11-13,15,17-19,21-23,25,28-29,31,37H,4,6,10,14,16,20,24,26-27H2,1-2H3.
What are the key properties of 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine has a molecular weight of 540.80 g/mol, XLogP of 9.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-di(cyclohexa-1,5-dien-1-yl)-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine is sourced from PubChem (CID 89017170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).