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

C84H58N2O2 — CID 166033482

IUPAC6-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
SMILESCc1cccc(C)c1N(c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2ccc(N(c3c(C)cccc3C)c3cccc4c3oc3ccccc34)cc2c1-c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C84H58N2O2/c1-51-25-21-26-52(2)81(51)85(69-41-23-39-65-61-37-17-19-43-71(61)87-83(65)69)59-45-47-63-67(49-59)75(57-33-13-7-14-34-57)79-77(73(63)55-29-9-5-10-30-55)78-74(56-31-11-6-12-32-56)64-48-46-60(50-68(64)76(80(78)79)58-35-15-8-16-36-58)86(82-53(3)27-22-28-54(82)4)70-42-24-40-66-62-38-18-20-44-72(62)88-84(66)70/h5-50H,1-4H3
InChIKeyHJJMYVQXWJMOAD-UHFFFAOYSA-N
MW1127.40 g/mol
LogP24.28
Rot. Bonds10

About 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

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 (PubChem CID 166033482) has the molecular formula C84H58N2O2 and a molecular weight of 1127.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID166033482
Molecular FormulaC84H58N2O2
Molecular Weight1127.40 g/mol
Exact Mass1126.45
IUPAC Name6-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
SMILESCc1cccc(C)c1N(c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2ccc(N(c3c(C)cccc3C)c3cccc4c3oc3ccccc34)cc2c1-c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C84H58N2O2/c1-51-25-21-26-52(2)81(51)85(69-41-23-39-65-61-37-17-19-43-71(61)87-83(65)69)59-45-47-63-67(49-59)75(57-33-13-7-14-34-57)79-77(73(63)55-29-9-5-10-30-55)78-74(56-31-11-6-12-32-56)64-48-46-60(50-68(64)76(80(78)79)58-35-15-8-16-36-58)86(82-53(3)27-22-28-54(82)4)70-42-24-40-66-62-38-18-20-44-72(62)88-84(66)70/h5-50H,1-4H3
InChIKeyHJJMYVQXWJMOAD-UHFFFAOYSA-N
XLogP24.28
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.40
LogP ≤ 524.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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,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
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
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(2-fluorophenyl)-9,10-diphenylanthracene-2,6-diamine
CID 89254520
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-(4,11-diphenyl-19-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-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine
CID 166031701
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
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(C)c1N(c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2ccc(N(c3c(C)cccc3C)c3cccc4c3oc3ccccc34)cc2c1-c1ccccc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of 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?
The InChIKey is HJJMYVQXWJMOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N2O2/c1-51-25-21-26-52(2)81(51)85(69-41-23-39-65-61-37-17-19-43-71(61)87-83(65)69)59-45-47-63-67(49-59)75(57-33-13-7-14-34-57)79-77(73(63)55-29-9-5-10-30-55)78-74(56-31-11-6-12-32-56)64-48-46-60(50-68(64)76(80(78)79)58-35-15-8-16-36-58)86(82-53(3)27-22-28-54(82)4)70-42-24-40-66-62-38-18-20-44-72(62)88-84(66)70/h5-50H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1127.40 g/mol, XLogP of 24.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166033482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).