6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine

C88H70N2 — CID 166032949

IUPAC6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
SMILESCc1ccc(C(C)C)cc1N(c1cccc(-c2ccccc2)c1)c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2cc(N(c3cccc(-c4ccccc4)c3)c3cc(C(C)C)ccc3C)ccc2c1-c1ccccc1
InChIInChI=1S/C88H70N2/c1-57(2)67-45-43-59(5)79(53-67)89(71-41-25-39-69(51-71)61-27-13-7-14-28-61)73-47-49-75-77(55-73)83(65-35-21-11-22-36-65)87-85(81(75)63-31-17-9-18-32-63)88-84(66-37-23-12-24-38-66)78-56-74(48-50-76(78)82(86(87)88)64-33-19-10-20-34-64)90(80-54-68(58(3)4)46-44-60(80)6)72-42-26-40-70(52-72)62-29-15-8-16-30-62/h7-58H,1-6H3
InChIKeyATDATEROLICZEO-UHFFFAOYSA-N
MW1155.54 g/mol
LogP25.45
Rot. Bonds14

About 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine

6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine (PubChem CID 166032949) has the molecular formula C88H70N2 and a molecular weight of 1155.54 g/mol. Its IUPAC name is 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine.

Molecular Properties

Compound Name6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
PubChem CID166032949
Molecular FormulaC88H70N2
Molecular Weight1155.54 g/mol
Exact Mass1154.55
IUPAC Name6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
SMILESCc1ccc(C(C)C)cc1N(c1cccc(-c2ccccc2)c1)c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2cc(N(c3cccc(-c4ccccc4)c3)c3cc(C(C)C)ccc3C)ccc2c1-c1ccccc1
InChIInChI=1S/C88H70N2/c1-57(2)67-45-43-59(5)79(53-67)89(71-41-25-39-69(51-71)61-27-13-7-14-28-61)73-47-49-75-77(55-73)83(65-35-21-11-22-36-65)87-85(81(75)63-31-17-9-18-32-63)88-84(66-37-23-12-24-38-66)78-56-74(48-50-76(78)82(86(87)88)64-33-19-10-20-34-64)90(80-54-68(58(3)4)46-44-60(80)6)72-42-26-40-70(52-72)62-29-15-8-16-30-62/h7-58H,1-6H3
InChIKeyATDATEROLICZEO-UHFFFAOYSA-N
XLogP25.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.54
LogP ≤ 525.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine with MolForge

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Related Compounds

N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
CID 166033332
6-N,16-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166032166
6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenyl-6-N,17-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033291
6-N,17-N-bis(2-methylphenyl)-6-N,17-N-bis(4-methylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166032569
6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-2,16-diphenyl-14,28-dioxaheptacyclo[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 155360620
7-tert-butyl-1-N,3-N-bis(2-methyl-5-phenylphenyl)-1-N,3-N-bis(3-propan-2-ylphenyl)pyrene-1,3-diamine
CID 129062828
2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
CID 143986181
N-(13,20-diphenyl-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-(2-methyl-5-propan-2-ylphenyl)dibenzofuran-4-amine
CID 166033505
2-N-(4-methylphenyl)-2-N,6-N-bis(3-methyl-5-propan-2-ylphenyl)-6-N,9,10-triphenylanthracene-2,6-diamine
CID 143986348
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
1-N,6-N-bis[5-(2,6-dimethylphenyl)-2-methylphenyl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine
CID 129062646

Frequently Asked Questions

What is the IUPAC name of 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine?
The IUPAC name of 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine (CID 166032949) is 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine.
What is the SMILES notation for 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine?
The canonical SMILES for 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine is Cc1ccc(C(C)C)cc1N(c1cccc(-c2ccccc2)c1)c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2cc(N(c3cccc(-c4ccccc4)c3)c3cc(C(C)C)ccc3C)ccc2c1-c1ccccc1.
What is the InChIKey of 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine?
The InChIKey is ATDATEROLICZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H70N2/c1-57(2)67-45-43-59(5)79(53-67)89(71-41-25-39-69(51-71)61-27-13-7-14-28-61)73-47-49-75-77(55-73)83(65-35-21-11-22-36-65)87-85(81(75)63-31-17-9-18-32-63)88-84(66-37-23-12-24-38-66)78-56-74(48-50-76(78)82(86(87)88)64-33-19-10-20-34-64)90(80-54-68(58(3)4)46-44-60(80)6)72-42-26-40-70(52-72)62-29-15-8-16-30-62/h7-58H,1-6H3.
What are the key properties of 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine?
6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine has a molecular weight of 1155.54 g/mol, XLogP of 25.45, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine is sourced from PubChem (CID 166032949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).