2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine

C55H68N2 — CID 89017172

IUPAC2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine
SMILESCC(C)(C)C1=CCC(N(C2=CC3=C(CC2)C2=CC=C(N(C4=C5C=CCCC5CC=C4)C4C=CC(C(C)(C)C)=CC4)CC2C3(C)C)C2=C3C=CCCC3CC=C2)C=C1
InChIInChI=1S/C55H68N2/c1-53(2,3)39-23-27-41(28-24-39)56(51-21-13-17-37-15-9-11-19-45(37)51)43-31-33-47-48-34-32-44(36-50(48)55(7,8)49(47)35-43)57(42-29-25-40(26-30-42)54(4,5)6)52-22-14-18-38-16-10-12-20-46(38)52/h11-14,19-27,29,31,33,36-38,41-42,49H,9-10,15-18,28,30,32,34-35H2,1-8H3
InChIKeySOBJZWRSQABUQD-UHFFFAOYSA-N
MW757.16 g/mol
LogP14.40
Rot. Bonds6

About 2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine

2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine (PubChem CID 89017172) has the molecular formula C55H68N2 and a molecular weight of 757.16 g/mol. Its IUPAC name is 2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine
PubChem CID89017172
Molecular FormulaC55H68N2
Molecular Weight757.16 g/mol
Exact Mass756.54
IUPAC Name2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine
SMILESCC(C)(C)C1=CCC(N(C2=CC3=C(CC2)C2=CC=C(N(C4=C5C=CCCC5CC=C4)C4C=CC(C(C)(C)C)=CC4)CC2C3(C)C)C2=C3C=CCCC3CC=C2)C=C1
InChIInChI=1S/C55H68N2/c1-53(2,3)39-23-27-41(28-24-39)56(51-21-13-17-37-15-9-11-19-45(37)51)43-31-33-47-48-34-32-44(36-50(48)55(7,8)49(47)35-43)57(42-29-25-40(26-30-42)54(4,5)6)52-22-14-18-38-16-10-12-20-46(38)52/h11-14,19-27,29,31,33,36-38,41-42,49H,9-10,15-18,28,30,32,34-35H2,1-8H3
InChIKeySOBJZWRSQABUQD-UHFFFAOYSA-N
XLogP14.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.16
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-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-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine (CID 89017172) is 2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-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-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine is CC(C)(C)C1=CCC(N(C2=CC3=C(CC2)C2=CC=C(N(C4=C5C=CCCC5CC=C4)C4C=CC(C(C)(C)C)=CC4)CC2C3(C)C)C2=C3C=CCCC3CC=C2)C=C1.
What is the InChIKey of 2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
The InChIKey is SOBJZWRSQABUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H68N2/c1-53(2,3)39-23-27-41(28-24-39)56(51-21-13-17-37-15-9-11-19-45(37)51)43-31-33-47-48-34-32-44(36-50(48)55(7,8)49(47)35-43)57(42-29-25-40(26-30-42)54(4,5)6)52-22-14-18-38-16-10-12-20-46(38)52/h11-14,19-27,29,31,33,36-38,41-42,49H,9-10,15-18,28,30,32,34-35H2,1-8H3.
What are the key properties of 2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine?
2-N,7-N-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine has a molecular weight of 757.16 g/mol, XLogP of 14.40, 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-bis(4,4a,5,6-tetrahydronaphthalen-1-yl)-2-N,7-N-bis(4-tert-butylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene-2,7-diamine is sourced from PubChem (CID 89017172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).