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

C84H58N2O2 — CID 166033167

IUPAC6-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
SMILESCc1ccccc1N(c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2cc(N(c3ccccc3C)c3c(C)ccc4c3oc3ccccc34)ccc2c1-c1ccccc1)c1c(C)ccc2c1oc1ccccc12
InChIInChI=1S/C84H58N2O2/c1-51-25-17-21-37-69(51)85(81-53(3)41-45-65-61-35-19-23-39-71(61)87-83(65)81)59-43-47-63-67(49-59)75(57-31-13-7-14-32-57)79-77(73(63)55-27-9-5-10-28-55)80-76(58-33-15-8-16-34-58)68-50-60(44-48-64(68)74(78(79)80)56-29-11-6-12-30-56)86(70-38-22-18-26-52(70)2)82-54(4)42-46-66-62-36-20-24-40-72(62)88-84(66)82/h5-50H,1-4H3
InChIKeyWRGREBZLBZQDPA-UHFFFAOYSA-N
MW1127.40 g/mol
LogP24.28
Rot. Bonds10

About 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

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 (PubChem CID 166033167) has the molecular formula C84H58N2O2 and a molecular weight of 1127.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID166033167
Molecular FormulaC84H58N2O2
Molecular Weight1127.40 g/mol
Exact Mass1126.45
IUPAC Name6-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
SMILESCc1ccccc1N(c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2cc(N(c3ccccc3C)c3c(C)ccc4c3oc3ccccc34)ccc2c1-c1ccccc1)c1c(C)ccc2c1oc1ccccc12
InChIInChI=1S/C84H58N2O2/c1-51-25-17-21-37-69(51)85(81-53(3)41-45-65-61-35-19-23-39-71(61)87-83(65)81)59-43-47-63-67(49-59)75(57-31-13-7-14-32-57)79-77(73(63)55-27-9-5-10-28-55)80-76(58-33-15-8-16-34-58)68-50-60(44-48-64(68)74(78(79)80)56-29-11-6-12-30-56)86(70-38-22-18-26-52(70)2)82-54(4)42-46-66-62-36-20-24-40-72(62)88-84(66)82/h5-50H,1-4H3
InChIKeyWRGREBZLBZQDPA-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,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 with MolForge

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Related Compounds

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-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
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
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
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
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
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
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
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1N(c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2cc(N(c3ccccc3C)c3c(C)ccc4c3oc3ccccc34)ccc2c1-c1ccccc1)c1c(C)ccc2c1oc1ccccc12.
What is the InChIKey of 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?
The InChIKey is WRGREBZLBZQDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N2O2/c1-51-25-17-21-37-69(51)85(81-53(3)41-45-65-61-35-19-23-39-71(61)87-83(65)81)59-43-47-63-67(49-59)75(57-31-13-7-14-32-57)79-77(73(63)55-27-9-5-10-28-55)80-76(58-33-15-8-16-34-58)68-50-60(44-48-64(68)74(78(79)80)56-29-11-6-12-30-56)86(70-38-22-18-26-52(70)2)82-54(4)42-46-66-62-36-20-24-40-72(62)88-84(66)82/h5-50H,1-4H3.
What are the key properties of 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?
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 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,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 is sourced from PubChem (CID 166033167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).