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

C72H54N2 — CID 166032569

IUPAC6-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
SMILESCc1ccc(N(c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2c-4c(-c3ccccc3)c3ccc(N(c4ccc(C)cc4)c4ccccc4C)cc3c2-c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C72H54N2/c1-47-33-37-55(38-34-47)73(63-31-19-17-21-49(63)3)57-41-43-59-61(45-57)67(53-27-13-7-14-28-53)71-69(65(59)51-23-9-5-10-24-51)70-66(52-25-11-6-12-26-52)60-44-42-58(46-62(60)68(72(70)71)54-29-15-8-16-30-54)74(56-39-35-48(2)36-40-56)64-32-20-18-22-50(64)4/h5-46H,1-4H3
InChIKeyLGVJPINYWDVWFS-UHFFFAOYSA-N
MW947.24 g/mol
LogP20.48
Rot. Bonds10

About 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

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 (PubChem CID 166032569) has the molecular formula C72H54N2 and a molecular weight of 947.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID166032569
Molecular FormulaC72H54N2
Molecular Weight947.24 g/mol
Exact Mass946.43
IUPAC Name6-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
SMILESCc1ccc(N(c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2c-4c(-c3ccccc3)c3ccc(N(c4ccc(C)cc4)c4ccccc4C)cc3c2-c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C72H54N2/c1-47-33-37-55(38-34-47)73(63-31-19-17-21-49(63)3)57-41-43-59-61(45-57)67(53-27-13-7-14-28-53)71-69(65(59)51-23-9-5-10-24-51)70-66(52-25-11-6-12-26-52)60-44-42-58(46-62(60)68(72(70)71)54-29-15-8-16-30-54)74(56-39-35-48(2)36-40-56)64-32-20-18-22-50(64)4/h5-46H,1-4H3
InChIKeyLGVJPINYWDVWFS-UHFFFAOYSA-N
XLogP20.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.24
LogP ≤ 520.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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

2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
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-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine
CID 143494720
6-N,16-N-bis(3-methyldibenzofuran-4-yl)-6-N,16-N-bis(2-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-6,16-diamine
CID 166033167
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
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,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
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
9,10-bis(4-methylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine
CID 90194158
3-methyl-4-[2-methyl-4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]-N-(2-methylphenyl)-N-(4-methylphenyl)aniline
CID 20562857
6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine
CID 123890919
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2c-4c(-c3ccccc3)c3ccc(N(c4ccc(C)cc4)c4ccccc4C)cc3c2-c2ccccc2)c2ccccc2C)cc1.
What is the InChIKey of 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?
The InChIKey is LGVJPINYWDVWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N2/c1-47-33-37-55(38-34-47)73(63-31-19-17-21-49(63)3)57-41-43-59-61(45-57)67(53-27-13-7-14-28-53)71-69(65(59)51-23-9-5-10-24-51)70-66(52-25-11-6-12-26-52)60-44-42-58(46-62(60)68(72(70)71)54-29-15-8-16-30-54)74(56-39-35-48(2)36-40-56)64-32-20-18-22-50(64)4/h5-46H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 947.24 g/mol, XLogP of 20.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166032569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).