1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine

C86H88N2 — CID 118180101

IUPAC1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine
SMILESc1ccc(-c2c3c(c(N(c4ccc(-c5c6c(cc7c5CCCC7)CCCC6)cc4)c4ccc(N(c5ccc(-c6c7c(cc8c6CCCC8)CCCC7)cc5)c5c6c(c(-c7ccccc7)c7c5CCCC7)CCCC6)cc4)c4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C86H88N2/c1-3-23-57(24-4-1)83-73-35-15-19-39-77(73)85(78-40-20-16-36-74(78)83)87(65-47-43-59(44-48-65)81-69-31-11-7-27-61(69)55-62-28-8-12-32-70(62)81)67-51-53-68(54-52-67)88(66-49-45-60(46-50-66)82-71-33-13-9-29-63(71)56-64-30-10-14-34-72(64)82)86-79-41-21-17-37-75(79)84(58-25-5-2-6-26-58)76-38-18-22-42-80(76)86/h1-6,23-26,43-56H,7-22,27-42H2
InChIKeyQMOYGRVRYCREFW-UHFFFAOYSA-N
MW1149.66 g/mol
LogP22.32
Rot. Bonds10

About 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine

1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine (PubChem CID 118180101) has the molecular formula C86H88N2 and a molecular weight of 1149.66 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine
PubChem CID118180101
Molecular FormulaC86H88N2
Molecular Weight1149.66 g/mol
Exact Mass1148.69
IUPAC Name1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine
SMILESc1ccc(-c2c3c(c(N(c4ccc(-c5c6c(cc7c5CCCC7)CCCC6)cc4)c4ccc(N(c5ccc(-c6c7c(cc8c6CCCC8)CCCC7)cc5)c5c6c(c(-c7ccccc7)c7c5CCCC7)CCCC6)cc4)c4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C86H88N2/c1-3-23-57(24-4-1)83-73-35-15-19-39-77(73)85(78-40-20-16-36-74(78)83)87(65-47-43-59(44-48-65)81-69-31-11-7-27-61(69)55-62-28-8-12-32-70(62)81)67-51-53-68(54-52-67)88(66-49-45-60(46-50-66)82-71-33-13-9-29-63(71)56-64-30-10-14-34-72(64)82)86-79-41-21-17-37-75(79)84(58-25-5-2-6-26-58)76-38-18-22-42-80(76)86/h1-6,23-26,43-56H,7-22,27-42H2
InChIKeyQMOYGRVRYCREFW-UHFFFAOYSA-N
XLogP22.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.66
LogP ≤ 522.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine with MolForge

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline
CID 118178056
N,N-bis(4-phenylphenyl)-10-pyren-2-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine
CID 118178040
9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
CID 118180118
5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 118178106
N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine
CID 118178096
9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
CID 118180150
N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118178078
9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine
CID 118178093
3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline
CID 160773579
N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 59194350
N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254112
5-methyl-6,7-diphenyl-1,2,3,4-tetrahydronaphthalene
CID 170671649

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine (CID 118180101) is 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine is c1ccc(-c2c3c(c(N(c4ccc(-c5c6c(cc7c5CCCC7)CCCC6)cc4)c4ccc(N(c5ccc(-c6c7c(cc8c6CCCC8)CCCC7)cc5)c5c6c(c(-c7ccccc7)c7c5CCCC7)CCCC6)cc4)c4c2CCCC4)CCCC3)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine?
The InChIKey is QMOYGRVRYCREFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H88N2/c1-3-23-57(24-4-1)83-73-35-15-19-39-77(73)85(78-40-20-16-36-74(78)83)87(65-47-43-59(44-48-65)81-69-31-11-7-27-61(69)55-62-28-8-12-32-70(62)81)67-51-53-68(54-52-67)88(66-49-45-60(46-50-66)82-71-33-13-9-29-63(71)56-64-30-10-14-34-72(64)82)86-79-41-21-17-37-75(79)84(58-25-5-2-6-26-58)76-38-18-22-42-80(76)86/h1-6,23-26,43-56H,7-22,27-42H2.
What are the key properties of 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine?
1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine has a molecular weight of 1149.66 g/mol, XLogP of 22.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine is sourced from PubChem (CID 118180101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).