1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine

C110H84N4O — CID 171730459

IUPAC1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(N(c2cc(-c3ccc4oc5ccccc5c4c3)cc(N(c3cccc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3cccc(-c4ccccc4)c3)c2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C110H84N4O/c1-109(2,3)83-66-96(75-37-15-9-16-38-75)107(98(68-83)80-43-29-41-77(61-80)73-33-11-7-12-34-73)111(85-45-31-47-87(70-85)113-101-54-24-19-49-91(101)92-50-20-25-55-102(92)113)89-63-82(79-59-60-106-100(65-79)95-53-23-28-58-105(95)115-106)64-90(72-89)112(86-46-32-48-88(71-86)114-103-56-26-21-51-93(103)94-52-22-27-57-104(94)114)108-97(76-39-17-10-18-40-76)67-84(110(4,5)6)69-99(108)81-44-30-42-78(62-81)74-35-13-8-14-36-74/h7-72H,1-6H3/i19D,20D,21D,22D,24D,25D,26D,27D,49D,50D,51D,52D,54D,55D,56D,57D
InChIKeyNCWHJAUHVLFCIG-GVOZBVPNSA-N
MW1494.01 g/mol
LogP30.98
Rot. Bonds15

About 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine

1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine (PubChem CID 171730459) has the molecular formula C110H84N4O and a molecular weight of 1494.01 g/mol. Its IUPAC name is 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine
PubChem CID171730459
Molecular FormulaC110H84N4O
Molecular Weight1494.01 g/mol
Exact Mass1492.76
IUPAC Name1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(N(c2cc(-c3ccc4oc5ccccc5c4c3)cc(N(c3cccc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3cccc(-c4ccccc4)c3)c2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C110H84N4O/c1-109(2,3)83-66-96(75-37-15-9-16-38-75)107(98(68-83)80-43-29-41-77(61-80)73-33-11-7-12-34-73)111(85-45-31-47-87(70-85)113-101-54-24-19-49-91(101)92-50-20-25-55-102(92)113)89-63-82(79-59-60-106-100(65-79)95-53-23-28-58-105(95)115-106)64-90(72-89)112(86-46-32-48-88(71-86)114-103-56-26-21-51-93(103)94-52-22-27-57-104(94)114)108-97(76-39-17-10-18-40-76)67-84(110(4,5)6)69-99(108)81-44-30-42-78(62-81)74-35-13-8-14-36-74/h7-72H,1-6H3/i19D,20D,21D,22D,24D,25D,26D,27D,49D,50D,51D,52D,54D,55D,56D,57D
InChIKeyNCWHJAUHVLFCIG-GVOZBVPNSA-N
XLogP30.98
TPSA29.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001494.01
LogP ≤ 530.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine with MolForge

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Related Compounds

5-tert-butyl-3-N-[4-tert-butyl-2,6-bis(3-phenylphenyl)phenyl]-1-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-[4-(3,5-diphenylphenyl)phenyl]-3-N-[3-(1,2,3,4,5,7,8-heptadeuterio-6-phenylcarbazol-9-yl)phenyl]benzene-1,3-diamine
CID 177078383
8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-3,19-dideuterio-11-dibenzofuran-2-yl-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171423552
11-tert-butyl-5-dibenzofuran-2-yl-17-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-8,14-bis(2,4,6-triphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 168725752
N-[3-tert-butyl-5-[[2-(3,5-diphenylphenyl)-6-phenylphenyl]-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]methyl]phenyl]-2-(3,5-diphenylphenyl)-N-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-6-phenylaniline
CID 171730397
8,14-bis[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-3,4,18,19-tetradeuterio-11-dibenzofuran-2-yl-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171423585
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
8,14-bis[4-tert-butyl-2-(3-tert-butylphenyl)phenyl]-3,4,19-trideuterio-11-dibenzofuran-2-yl-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171423604
1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 166046955
9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172524297
N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
CID 118438894
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine (CID 171730459) is 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(N(c2cc(-c3ccc4oc5ccccc5c4c3)cc(N(c3cccc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3cccc(-c4ccccc4)c3)c2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine?
The InChIKey is NCWHJAUHVLFCIG-GVOZBVPNSA-N. The full InChI is InChI=1S/C110H84N4O/c1-109(2,3)83-66-96(75-37-15-9-16-38-75)107(98(68-83)80-43-29-41-77(61-80)73-33-11-7-12-34-73)111(85-45-31-47-87(70-85)113-101-54-24-19-49-91(101)92-50-20-25-55-102(92)113)89-63-82(79-59-60-106-100(65-79)95-53-23-28-58-105(95)115-106)64-90(72-89)112(86-46-32-48-88(71-86)114-103-56-26-21-51-93(103)94-52-22-27-57-104(94)114)108-97(76-39-17-10-18-40-76)67-84(110(4,5)6)69-99(108)81-44-30-42-78(62-81)74-35-13-8-14-36-74/h7-72H,1-6H3/i19D,20D,21D,22D,24D,25D,26D,27D,49D,50D,51D,52D,54D,55D,56D,57D.
What are the key properties of 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine?
1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine has a molecular weight of 1494.01 g/mol, XLogP of 30.98, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-5-dibenzofuran-2-yl-1-N,3-N-bis[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 171730459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).