7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

C67H56N2O2 — CID 90140184

IUPAC7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)C(C)(C)c2cc3cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc3cc2-4)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C67H56N2O2/c1-65(2,3)45-25-31-47(32-26-45)68(59-19-13-17-53-51-15-9-11-21-61(51)70-63(53)59)49-29-23-41-37-55-56-38-42-24-30-50(36-44(42)40-58(56)67(7,8)57(55)39-43(41)35-49)69(48-33-27-46(28-34-48)66(4,5)6)60-20-14-18-54-52-16-10-12-22-62(52)71-64(54)60/h9-40H,1-8H3
InChIKeyKKFSFPJBPHQKDJ-UHFFFAOYSA-N
MW921.20 g/mol
LogP19.63
Rot. Bonds6

About 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (PubChem CID 90140184) has the molecular formula C67H56N2O2 and a molecular weight of 921.20 g/mol. Its IUPAC name is 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.

Molecular Properties

Compound Name7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
PubChem CID90140184
Molecular FormulaC67H56N2O2
Molecular Weight921.20 g/mol
Exact Mass920.43
IUPAC Name7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)C(C)(C)c2cc3cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc3cc2-4)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C67H56N2O2/c1-65(2,3)45-25-31-47(32-26-45)68(59-19-13-17-53-51-15-9-11-21-61(51)70-63(53)59)49-29-23-41-37-55-56-38-42-24-30-50(36-44(42)40-58(56)67(7,8)57(55)39-43(41)35-49)69(48-33-27-46(28-34-48)66(4,5)6)60-20-14-18-54-52-16-10-12-22-62(52)71-64(54)60/h9-40H,1-8H3
InChIKeyKKFSFPJBPHQKDJ-UHFFFAOYSA-N
XLogP19.63
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.20
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine with MolForge

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Related Compounds

6-N,17-N-bis(4-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166033162
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633429
9-N,23-N-di(dibenzofuran-4-yl)-14,14,28,28-tetramethyl-9-N,23-N-diphenylheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;14,14,28,28-tetramethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenylheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;14,14,28,28-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 158488076
N-[17-(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl]-N-phenyldibenzofuran-4-amine
CID 166032684
N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802469
6-tert-butyl-N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140228
8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155361879
N-[16,17-bis(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl]-N-(5-tert-butyl-2-methylphenyl)dibenzofuran-4-amine
CID 166032355
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 90140356
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
3,6-ditert-butyl-7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494594
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633662

Frequently Asked Questions

What is the IUPAC name of 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
The IUPAC name of 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (CID 90140184) is 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.
What is the SMILES notation for 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
The canonical SMILES for 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is CC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)C(C)(C)c2cc3cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc3cc2-4)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
The InChIKey is KKFSFPJBPHQKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2O2/c1-65(2,3)45-25-31-47(32-26-45)68(59-19-13-17-53-51-15-9-11-21-61(51)70-63(53)59)49-29-23-41-37-55-56-38-42-24-30-50(36-44(42)40-58(56)67(7,8)57(55)39-43(41)35-49)69(48-33-27-46(28-34-48)66(4,5)6)60-20-14-18-54-52-16-10-12-22-62(52)71-64(54)60/h9-40H,1-8H3.
What are the key properties of 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine has a molecular weight of 921.20 g/mol, XLogP of 19.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is sourced from PubChem (CID 90140184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).