13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine

C71H60N2 — CID 89300605

IUPAC13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine
SMILESCCCC1(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)CC2(CC)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C71H60N2/c1-5-43-71(73(60-39-31-55(32-40-60)51-23-15-9-16-24-51)61-41-33-56(34-42-61)52-25-17-10-18-26-52)67-45-63-62-44-57-48-70(6-2,64(57)46-65(62)69(3,4)66(63)47-68(67)71)72(58-35-27-53(28-36-58)49-19-11-7-12-20-49)59-37-29-54(30-38-59)50-21-13-8-14-22-50/h7-42,44-47H,5-6,43,48H2,1-4H3
InChIKeyVBNKDWRHAPZHIU-UHFFFAOYSA-N
MW941.28 g/mol
LogP18.86
Rot. Bonds13

About 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine

13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine (PubChem CID 89300605) has the molecular formula C71H60N2 and a molecular weight of 941.28 g/mol. Its IUPAC name is 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine.

Molecular Properties

Compound Name13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine
PubChem CID89300605
Molecular FormulaC71H60N2
Molecular Weight941.28 g/mol
Exact Mass940.48
IUPAC Name13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine
SMILESCCCC1(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)CC2(CC)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C71H60N2/c1-5-43-71(73(60-39-31-55(32-40-60)51-23-15-9-16-24-51)61-41-33-56(34-42-61)52-25-17-10-18-26-52)67-45-63-62-44-57-48-70(6-2,64(57)46-65(62)69(3,4)66(63)47-68(67)71)72(58-35-27-53(28-36-58)49-19-11-7-12-20-49)59-37-29-54(30-38-59)50-21-13-8-14-22-50/h7-42,44-47H,5-6,43,48H2,1-4H3
InChIKeyVBNKDWRHAPZHIU-UHFFFAOYSA-N
XLogP18.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.28
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine with MolForge

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Related Compounds

6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine
CID 71026522
12-ethyl-8,8-dimethyl-N,N-diphenyl-5-[2-(N-phenylanilino)butan-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaen-12-amine
CID 71177671
[4-(N-[13-(N-(4-benzoylphenyl)-4-methylanilino)-5,13-diethyl-9,9-dimethyl-5-pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaenyl]-4-methylanilino)phenyl]-phenylmethanone
CID 71108237
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
12-ethyl-8,8-dimethyl-N,N-diphenyl-5-[2-(N-phenylanilino)butan-2-yl]tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaen-12-amine
CID 71027893
5-N,13-N-bis(2,6-diethylphenyl)-5,13-diethyl-9,9-dimethyl-5-N,13-N-bis(4-methylphenyl)pentacyclo[8.5.0.02,8.04,6.012,14]pentadeca-1(15),2,4(6),7,10,12(14)-hexaene-5,13-diamine
CID 71108343
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine?
The IUPAC name of 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine (CID 89300605) is 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine.
What is the SMILES notation for 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine?
The canonical SMILES for 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine is CCCC1(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)CC2(CC)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine?
The InChIKey is VBNKDWRHAPZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H60N2/c1-5-43-71(73(60-39-31-55(32-40-60)51-23-15-9-16-24-51)61-41-33-56(34-42-61)52-25-17-10-18-26-52)67-45-63-62-44-57-48-70(6-2,64(57)46-65(62)69(3,4)66(63)47-68(67)71)72(58-35-27-53(28-36-58)49-19-11-7-12-20-49)59-37-29-54(30-38-59)50-21-13-8-14-22-50/h7-42,44-47H,5-6,43,48H2,1-4H3.
What are the key properties of 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine?
13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine has a molecular weight of 941.28 g/mol, XLogP of 18.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine is sourced from PubChem (CID 89300605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).