3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine

C70H78N2O3 — CID 139574503

IUPAC3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine
SMILESCC1(C)c2ccccc2C2CC(N(C3C=CC4c5cc6ccc(N(C7=CCC8C(C7)C7CCCCC7C8(C)C)c7cccc8c9c(oc78)C=CCC9)cc6cc5OC4C3)C3CCCC4C5=C(CCCC5)OC43)=CCC21
InChIInChI=1S/C70H78N2O3/c1-69(2)57-21-9-5-15-47(57)54-38-44(30-33-59(54)69)71(61-23-13-19-52-49-17-7-11-25-63(49)74-67(52)61)43-28-27-41-36-56-51-32-29-46(40-66(51)73-65(56)37-42(41)35-43)72(62-24-14-20-53-50-18-8-12-26-64(50)75-68(53)62)45-31-34-60-55(39-45)48-16-6-10-22-58(48)70(60,3)4/h6,10-11,13,16,19,22-23,25,27-32,35-37,46-47,51,53-55,57,59-60,62,66,68H,5,7-9,12,14-15,17-18,20-21,24,26,33-34,38-40H2,1-4H3
InChIKeyGCBOYDIBQRQPRZ-UHFFFAOYSA-N
MW995.40 g/mol
LogP17.68
Rot. Bonds6

About 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine

3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine (PubChem CID 139574503) has the molecular formula C70H78N2O3 and a molecular weight of 995.40 g/mol. Its IUPAC name is 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine.

Molecular Properties

Compound Name3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine
PubChem CID139574503
Molecular FormulaC70H78N2O3
Molecular Weight995.40 g/mol
Exact Mass994.60
IUPAC Name3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine
SMILESCC1(C)c2ccccc2C2CC(N(C3C=CC4c5cc6ccc(N(C7=CCC8C(C7)C7CCCCC7C8(C)C)c7cccc8c9c(oc78)C=CCC9)cc6cc5OC4C3)C3CCCC4C5=C(CCCC5)OC43)=CCC21
InChIInChI=1S/C70H78N2O3/c1-69(2)57-21-9-5-15-47(57)54-38-44(30-33-59(54)69)71(61-23-13-19-52-49-17-7-11-25-63(49)74-67(52)61)43-28-27-41-36-56-51-32-29-46(40-66(51)73-65(56)37-42(41)35-43)72(62-24-14-20-53-50-18-8-12-26-64(50)75-68(53)62)45-31-34-60-55(39-45)48-16-6-10-22-58(48)70(60,3)4/h6,10-11,13,16,19,22-23,25,27-32,35-37,46-47,51,53-55,57,59-60,62,66,68H,5,7-9,12,14-15,17-18,20-21,24,26,33-34,38-40H2,1-4H3
InChIKeyGCBOYDIBQRQPRZ-UHFFFAOYSA-N
XLogP17.68
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.40
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine with MolForge

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Related Compounds

N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline
CID 170092461
N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 170281925
N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 156826935
8-N-(3-cyclohexa-1,3-dien-1-ylcyclohexyl)-3-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-3-N-(9,9-dimethyl-1,4,4a,4b,8a,9a-hexahydrofluoren-3-yl)-8-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-3-yl)-3,4-dihydronaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574510
11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-N-diphenyl-11-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,11-diamine
CID 170258389
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9'-spirobi[1,2,4a,9a-tetrahydrofluorene]-2'-yl)-6,7,8,9-tetrahydrodibenzofuran-1-amine
CID 139297035
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
9-N,23-N-bis(9,9-dimethylfluoren-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 158555256
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine
CID 170134501
9-N,17-N-bis(6-cyclohexyldibenzofuran-4-yl)-12,12-dimethyl-9-N,17-N-diphenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 90140354
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine
CID 89086171

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine?
The IUPAC name of 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine (CID 139574503) is 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine.
What is the SMILES notation for 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine?
The canonical SMILES for 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine is CC1(C)c2ccccc2C2CC(N(C3C=CC4c5cc6ccc(N(C7=CCC8C(C7)C7CCCCC7C8(C)C)c7cccc8c9c(oc78)C=CCC9)cc6cc5OC4C3)C3CCCC4C5=C(CCCC5)OC43)=CCC21.
What is the InChIKey of 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine?
The InChIKey is GCBOYDIBQRQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H78N2O3/c1-69(2)57-21-9-5-15-47(57)54-38-44(30-33-59(54)69)71(61-23-13-19-52-49-17-7-11-25-63(49)74-67(52)61)43-28-27-41-36-56-51-32-29-46(40-66(51)73-65(56)37-42(41)35-43)72(62-24-14-20-53-50-18-8-12-26-64(50)75-68(53)62)45-31-34-60-55(39-45)48-16-6-10-22-58(48)70(60,3)4/h6,10-11,13,16,19,22-23,25,27-32,35-37,46-47,51,53-55,57,59-60,62,66,68H,5,7-9,12,14-15,17-18,20-21,24,26,33-34,38-40H2,1-4H3.
What are the key properties of 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine?
3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine has a molecular weight of 995.40 g/mol, XLogP of 17.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine is sourced from PubChem (CID 139574503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).