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

C84H62N2 — CID 166032166

IUPAC6-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
SMILESCc1cccc(C)c1N(c1cccc(-c2ccccc2)c1)c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2cc(N(c3cccc(-c4ccccc4)c3)c3c(C)cccc3C)ccc2c1-c1ccccc1
InChIInChI=1S/C84H62N2/c1-55-27-23-28-56(2)83(55)85(67-45-25-43-65(51-67)59-31-11-5-12-32-59)69-47-49-71-73(53-69)77(63-39-19-9-20-40-63)81-79(75(71)61-35-15-7-16-36-61)82-78(64-41-21-10-22-42-64)74-54-70(48-50-72(74)76(80(81)82)62-37-17-8-18-38-62)86(84-57(3)29-24-30-58(84)4)68-46-26-44-66(52-68)60-33-13-6-14-34-60/h5-54H,1-4H3
InChIKeyFOZGFPNLIFFTRO-UHFFFAOYSA-N
MW1099.43 g/mol
LogP23.82
Rot. Bonds12

About 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

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 (PubChem CID 166032166) has the molecular formula C84H62N2 and a molecular weight of 1099.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID166032166
Molecular FormulaC84H62N2
Molecular Weight1099.43 g/mol
Exact Mass1098.49
IUPAC Name6-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
SMILESCc1cccc(C)c1N(c1cccc(-c2ccccc2)c1)c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2cc(N(c3cccc(-c4ccccc4)c3)c3c(C)cccc3C)ccc2c1-c1ccccc1
InChIInChI=1S/C84H62N2/c1-55-27-23-28-56(2)83(55)85(67-45-25-43-65(51-67)59-31-11-5-12-32-59)69-47-49-71-73(53-69)77(63-39-19-9-20-40-63)81-79(75(71)61-35-15-7-16-36-61)82-78(64-41-21-10-22-42-64)74-54-70(48-50-72(74)76(80(81)82)62-37-17-8-18-38-62)86(84-57(3)29-24-30-58(84)4)68-46-26-44-66(52-68)60-33-13-6-14-34-60/h5-54H,1-4H3
InChIKeyFOZGFPNLIFFTRO-UHFFFAOYSA-N
XLogP23.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.43
LogP ≤ 523.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-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 166032484
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
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
6-N,17-N-di(dibenzofuran-4-yl)-6-N,17-N-bis(2,6-dimethylphenyl)-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 166033482
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
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine
CID 123890919
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064457
N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304286

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(C)c1N(c1cccc(-c2ccccc2)c1)c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2cc(N(c3cccc(-c4ccccc4)c3)c3c(C)cccc3C)ccc2c1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is FOZGFPNLIFFTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H62N2/c1-55-27-23-28-56(2)83(55)85(67-45-25-43-65(51-67)59-31-11-5-12-32-59)69-47-49-71-73(53-69)77(63-39-19-9-20-40-63)81-79(75(71)61-35-15-7-16-36-61)82-78(64-41-21-10-22-42-64)74-54-70(48-50-72(74)76(80(81)82)62-37-17-8-18-38-62)86(84-57(3)29-24-30-58(84)4)68-46-26-44-66(52-68)60-33-13-6-14-34-60/h5-54H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1099.43 g/mol, XLogP of 23.82, 12 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(2,6-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 is sourced from PubChem (CID 166032166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).