6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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

C86H62N2O2 — CID 166031656

IUPAC6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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
SMILESCc1ccc(C)c(N(c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2c-4c(-c3ccccc3)c3cc(N(c4cc(C)ccc4C)c4c(C)ccc5c4oc4ccccc45)ccc3c2-c2ccccc2)c2c(C)ccc3c2oc2ccccc23)c1
InChIInChI=1S/C86H62N2O2/c1-51-35-37-53(3)71(47-51)87(83-55(5)39-43-67-63-31-19-21-33-73(63)89-85(67)83)61-41-45-65-69(49-61)77(59-27-15-9-16-28-59)81-79(75(65)57-23-11-7-12-24-57)82-78(60-29-17-10-18-30-60)70-50-62(42-46-66(70)76(80(81)82)58-25-13-8-14-26-58)88(72-48-52(2)36-38-54(72)4)84-56(6)40-44-68-64-32-20-22-34-74(64)90-86(68)84/h7-50H,1-6H3
InChIKeyCQHIXHIFMGCRQE-UHFFFAOYSA-N
MW1155.45 g/mol
LogP24.90
Rot. Bonds10

About 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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

6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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 (PubChem CID 166031656) has the molecular formula C86H62N2O2 and a molecular weight of 1155.45 g/mol. Its IUPAC name is 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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.

Molecular Properties

Compound Name6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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
PubChem CID166031656
Molecular FormulaC86H62N2O2
Molecular Weight1155.45 g/mol
Exact Mass1154.48
IUPAC Name6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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
SMILESCc1ccc(C)c(N(c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2c-4c(-c3ccccc3)c3cc(N(c4cc(C)ccc4C)c4c(C)ccc5c4oc4ccccc45)ccc3c2-c2ccccc2)c2c(C)ccc3c2oc2ccccc23)c1
InChIInChI=1S/C86H62N2O2/c1-51-35-37-53(3)71(47-51)87(83-55(5)39-43-67-63-31-19-21-33-73(63)89-85(67)83)61-41-45-65-69(49-61)77(59-27-15-9-16-28-59)81-79(75(65)57-23-11-7-12-24-57)82-78(60-29-17-10-18-30-60)70-50-62(42-46-66(70)76(80(81)82)58-25-13-8-14-26-58)88(72-48-52(2)36-38-54(72)4)84-56(6)40-44-68-64-32-20-22-34-74(64)90-86(68)84/h7-50H,1-6H3
InChIKeyCQHIXHIFMGCRQE-UHFFFAOYSA-N
XLogP24.90
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.45
LogP ≤ 524.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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 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

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
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
3-methyl-N-(2-methyl-5-phenylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166031670
23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 146526388
6-N,17-N-bis(2-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-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 166033553
6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-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 166033534
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-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine
CID 89254520
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
1-N,1-N,6-N,6-N-tetrakis(3-methyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 153297565
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 146526608
8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 138745531

Frequently Asked Questions

What is the IUPAC name of 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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?
The IUPAC name of 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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 166031656) is 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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.
What is the SMILES notation for 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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?
The canonical SMILES for 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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 is Cc1ccc(C)c(N(c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2c-4c(-c3ccccc3)c3cc(N(c4cc(C)ccc4C)c4c(C)ccc5c4oc4ccccc45)ccc3c2-c2ccccc2)c2c(C)ccc3c2oc2ccccc23)c1.
What is the InChIKey of 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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?
The InChIKey is CQHIXHIFMGCRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H62N2O2/c1-51-35-37-53(3)71(47-51)87(83-55(5)39-43-67-63-31-19-21-33-73(63)89-85(67)83)61-41-45-65-69(49-61)77(59-27-15-9-16-28-59)81-79(75(65)57-23-11-7-12-24-57)82-78(60-29-17-10-18-30-60)70-50-62(42-46-66(70)76(80(81)82)58-25-13-8-14-26-58)88(72-48-52(2)36-38-54(72)4)84-56(6)40-44-68-64-32-20-22-34-74(64)90-86(68)84/h7-50H,1-6H3.
What are the key properties of 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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?
6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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 has a molecular weight of 1155.45 g/mol, XLogP of 24.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,16-N-bis(2,5-dimethylphenyl)-6-N,16-N-bis(3-methyldibenzofuran-4-yl)-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 is sourced from PubChem (CID 166031656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).