2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine

C47H52N2 — CID 89017140

IUPAC2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine
SMILESCC1(C)C2=C(CCC(N(C3=CCCC4=C3CCC=C4)C3C=CC=CC3)=C2)C2=CC=C(N(C3=CCCC4=C3CCC=C4)C3C=CC=CC3)CC21
InChIInChI=1S/C47H52N2/c1-47(2)43-31-37(48(35-19-5-3-6-20-35)45-25-13-17-33-15-9-11-23-39(33)45)27-29-41(43)42-30-28-38(32-44(42)47)49(36-21-7-4-8-22-36)46-26-14-18-34-16-10-12-24-40(34)46/h3-10,15-16,19,21,25-27,29,32,35-36,43H,11-14,17-18,20,22-24,28,30-31H2,1-2H3
InChIKeyUDCZPRWZABAYJP-UHFFFAOYSA-N
MW644.95 g/mol
LogP11.85
Rot. Bonds6

About 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(3,4,7,8-tetrahydronaphthalen-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(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine (PubChem CID 89017140) has the molecular formula C47H52N2 and a molecular weight of 644.95 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(3,4,7,8-tetrahydronaphthalen-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(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine
PubChem CID89017140
Molecular FormulaC47H52N2
Molecular Weight644.95 g/mol
Exact Mass644.41
IUPAC Name2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine
SMILESCC1(C)C2=C(CCC(N(C3=CCCC4=C3CCC=C4)C3C=CC=CC3)=C2)C2=CC=C(N(C3=CCCC4=C3CCC=C4)C3C=CC=CC3)CC21
InChIInChI=1S/C47H52N2/c1-47(2)43-31-37(48(35-19-5-3-6-20-35)45-25-13-17-33-15-9-11-23-39(33)45)27-29-41(43)42-30-28-38(32-44(42)47)49(36-21-7-4-8-22-36)46-26-14-18-34-16-10-12-24-40(34)46/h3-10,15-16,19,21,25-27,29,32,35-36,43H,11-14,17-18,20,22-24,28,30-31H2,1-2H3
InChIKeyUDCZPRWZABAYJP-UHFFFAOYSA-N
XLogP11.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.95
LogP ≤ 511.85
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(3,4,7,8-tetrahydronaphthalen-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(3,4,7,8-tetrahydronaphthalen-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(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine (CID 89017140) is 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(3,4,7,8-tetrahydronaphthalen-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(3,4,7,8-tetrahydronaphthalen-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(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine is CC1(C)C2=C(CCC(N(C3=CCCC4=C3CCC=C4)C3C=CC=CC3)=C2)C2=CC=C(N(C3=CCCC4=C3CCC=C4)C3C=CC=CC3)CC21.
What is the InChIKey of 2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The InChIKey is UDCZPRWZABAYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52N2/c1-47(2)43-31-37(48(35-19-5-3-6-20-35)45-25-13-17-33-15-9-11-23-39(33)45)27-29-41(43)42-30-28-38(32-44(42)47)49(36-21-7-4-8-22-36)46-26-14-18-34-16-10-12-24-40(34)46/h3-10,15-16,19,21,25-27,29,32,35-36,43H,11-14,17-18,20,22-24,28,30-31H2,1-2H3.
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(3,4,7,8-tetrahydronaphthalen-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(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine has a molecular weight of 644.95 g/mol, XLogP of 11.85, 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(3,4,7,8-tetrahydronaphthalen-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine is sourced from PubChem (CID 89017140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).