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

C41H48N2 — CID 89017120

IUPAC2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine
SMILESCC1=CC(N(C2=CC3=C(CC2)C2=CC=C(N(C4=CCCC(C)=C4)C4C=CC=CC4)CC2C3(C)C)C2C=CC=CC2)=CCC1
InChIInChI=1S/C41H48N2/c1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34/h5-10,15,17,19-21,23,25-26,28,31-32,39H,11-14,16,18,22,24,27H2,1-4H3
InChIKeyCZYVAJCQRMRYLL-UHFFFAOYSA-N
MW568.85 g/mol
LogP10.45
Rot. Bonds6

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

2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine (PubChem CID 89017120) has the molecular formula C41H48N2 and a molecular weight of 568.85 g/mol. Its IUPAC name is 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine
PubChem CID89017120
Molecular FormulaC41H48N2
Molecular Weight568.85 g/mol
Exact Mass568.38
IUPAC Name2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine
SMILESCC1=CC(N(C2=CC3=C(CC2)C2=CC=C(N(C4=CCCC(C)=C4)C4C=CC=CC4)CC2C3(C)C)C2C=CC=CC2)=CCC1
InChIInChI=1S/C41H48N2/c1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34/h5-10,15,17,19-21,23,25-26,28,31-32,39H,11-14,16,18,22,24,27H2,1-4H3
InChIKeyCZYVAJCQRMRYLL-UHFFFAOYSA-N
XLogP10.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.85
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-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-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine (CID 89017120) is 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine is CC1=CC(N(C2=CC3=C(CC2)C2=CC=C(N(C4=CCCC(C)=C4)C4C=CC=CC4)CC2C3(C)C)C2C=CC=CC2)=CCC1.
What is the InChIKey of 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The InChIKey is CZYVAJCQRMRYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48N2/c1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34/h5-10,15,17,19-21,23,25-26,28,31-32,39H,11-14,16,18,22,24,27H2,1-4H3.
What are the key properties of 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine has a molecular weight of 568.85 g/mol, XLogP of 10.45, 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-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine is sourced from PubChem (CID 89017120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).