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

C76H52N2 — CID 155361342

IUPAC8-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
SMILESc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccc3c(c2-4)C(c2ccccc2)(c2ccccc2)c2cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc2-3)cc1
InChIInChI=1S/C76H52N2/c1-9-25-57(26-10-1)75(58-27-11-2-12-28-58)70-46-45-67-68-49-53-41-43-65(77(61-33-17-5-18-34-61)62-35-19-6-20-36-62)47-55(53)51-71(68)76(59-29-13-3-14-30-59,60-31-15-4-16-32-60)74(67)73(70)69-50-54-42-44-66(48-56(54)52-72(69)75)78(63-37-21-7-22-38-63)64-39-23-8-24-40-64/h1-52H
InChIKeyQEKSEQLPMOSLPH-UHFFFAOYSA-N
MW993.27 g/mol
LogP19.66
Rot. Bonds10

About 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

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 (PubChem CID 155361342) has the molecular formula C76H52N2 and a molecular weight of 993.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID155361342
Molecular FormulaC76H52N2
Molecular Weight993.27 g/mol
Exact Mass992.41
IUPAC Name8-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
SMILESc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccc3c(c2-4)C(c2ccccc2)(c2ccccc2)c2cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc2-3)cc1
InChIInChI=1S/C76H52N2/c1-9-25-57(26-10-1)75(58-27-11-2-12-28-58)70-46-45-67-68-49-53-41-43-65(77(61-33-17-5-18-34-61)62-35-19-6-20-36-62)47-55(53)51-71(68)76(59-29-13-3-14-30-59,60-31-15-4-16-32-60)74(67)73(70)69-50-54-42-44-66(48-56(54)52-72(69)75)78(63-37-21-7-22-38-63)64-39-23-8-24-40-64/h1-52H
InChIKeyQEKSEQLPMOSLPH-UHFFFAOYSA-N
XLogP19.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.27
LogP ≤ 519.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
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
11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 118145832
7-N',7-N',17-N',17-N'-tetraphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
CID 137495014
5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121430962
13,13,18,18-tetramethyl-8-N,8-N,23-N,23-N-tetraphenylheptacyclo[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 155359969
N-(11,11-diphenylbenzo[a]fluoren-9-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-11,11-diphenylbenzo[a]fluoren-9-amine;N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-7,7-diphenylbenzo[g]fluoren-9-amine;2,3,4,5,6-pentadeuterio-N,N-bis[4-(11-phenylbenzo[a]fluoren-11-yl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N,N-bis[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]aniline
CID 165111097
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-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
12,12-dimethyl-N-phenyl-N-(7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-yl)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 130290640

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccc3c(c2-4)C(c2ccccc2)(c2ccccc2)c2cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is QEKSEQLPMOSLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N2/c1-9-25-57(26-10-1)75(58-27-11-2-12-28-58)70-46-45-67-68-49-53-41-43-65(77(61-33-17-5-18-34-61)62-35-19-6-20-36-62)47-55(53)51-71(68)76(59-29-13-3-14-30-59,60-31-15-4-16-32-60)74(67)73(70)69-50-54-42-44-66(48-56(54)52-72(69)75)78(63-37-21-7-22-38-63)64-39-23-8-24-40-64/h1-52H.
What are the key properties of 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?
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 has a molecular weight of 993.27 g/mol, XLogP of 19.66, 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,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 is sourced from PubChem (CID 155361342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).