8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

C84H68N2 — CID 155359768

IUPAC8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccc3c(c2-4)C(c2ccccc2)(c2ccccc2)c2cc4cc(N(c5cc(C)cc(C)c5)c5cc(C)cc(C)c5)ccc4cc2-3)c1
InChIInChI=1S/C84H68N2/c1-53-35-54(2)40-71(39-53)85(72-41-55(3)36-56(4)42-72)69-31-29-61-49-76-75-33-34-78-81(82(75)84(67-25-17-11-18-26-67,68-27-19-12-20-28-68)79(76)51-63(61)47-69)77-50-62-30-32-70(86(73-43-57(5)37-58(6)44-73)74-45-59(7)38-60(8)46-74)48-64(62)52-80(77)83(78,65-21-13-9-14-22-65)66-23-15-10-16-24-66/h9-52H,1-8H3
InChIKeyMVPTYYAENQDZGM-UHFFFAOYSA-N
MW1105.48 g/mol
LogP22.13
Rot. Bonds10

About 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 155359768) has the molecular formula C84H68N2 and a molecular weight of 1105.48 g/mol. Its IUPAC name is 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
PubChem CID155359768
Molecular FormulaC84H68N2
Molecular Weight1105.48 g/mol
Exact Mass1104.54
IUPAC Name8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccc3c(c2-4)C(c2ccccc2)(c2ccccc2)c2cc4cc(N(c5cc(C)cc(C)c5)c5cc(C)cc(C)c5)ccc4cc2-3)c1
InChIInChI=1S/C84H68N2/c1-53-35-54(2)40-71(39-53)85(72-41-55(3)36-56(4)42-72)69-31-29-61-49-76-75-33-34-78-81(82(75)84(67-25-17-11-18-26-67,68-27-19-12-20-28-68)79(76)51-63(61)47-69)77-50-62-30-32-70(86(73-43-57(5)37-58(6)44-73)74-45-59(7)38-60(8)46-74)48-64(62)52-80(77)83(78,65-21-13-9-14-22-65)66-23-15-10-16-24-66/h9-52H,1-8H3
InChIKeyMVPTYYAENQDZGM-UHFFFAOYSA-N
XLogP22.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.48
LogP ≤ 522.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-N,8-N,23-N,23-N,13,13,28,28-octakis-phenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361342
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290189
N-(3,5-dimethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
CID 137494337
9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[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 155360000
7-N',17-N'-bis(3-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[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-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[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 158059948
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290624
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
N-(3-methylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-amine
CID 140962192
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline
CID 170297648
N-(4-methylphenyl)-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 137494242
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
The IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 155359768) is 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccc3c(c2-4)C(c2ccccc2)(c2ccccc2)c2cc4cc(N(c5cc(C)cc(C)c5)c5cc(C)cc(C)c5)ccc4cc2-3)c1.
What is the InChIKey of 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
The InChIKey is MVPTYYAENQDZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H68N2/c1-53-35-54(2)40-71(39-53)85(72-41-55(3)36-56(4)42-72)69-31-29-61-49-76-75-33-34-78-81(82(75)84(67-25-17-11-18-26-67,68-27-19-12-20-28-68)79(76)51-63(61)47-69)77-50-62-30-32-70(86(73-43-57(5)37-58(6)44-73)74-45-59(7)38-60(8)46-74)48-64(62)52-80(77)83(78,65-21-13-9-14-22-65)66-23-15-10-16-24-66/h9-52H,1-8H3.
What are the key properties of 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 1105.48 g/mol, XLogP of 22.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-13,13,28,28-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 155359768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).