5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine

C85H66N2O2 — CID 90139898

IUPAC5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c2-3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C85H66N2O2/c1-83(2,3)57-43-47-61(48-44-57)86(75-41-23-39-70-68-37-21-35-64(79(68)88-81(70)75)55-25-11-7-12-26-55)63-51-52-72-73(53-63)85(59-29-15-9-16-30-59,60-31-17-10-18-32-60)74-54-77(66-33-19-20-34-67(66)78(72)74)87(62-49-45-58(46-50-62)84(4,5)6)76-42-24-40-71-69-38-22-36-65(80(69)89-82(71)76)56-27-13-8-14-28-56/h7-54H,1-6H3
InChIKeyBYZDIRVZZRSDGB-UHFFFAOYSA-N
MW1147.47 g/mol
LogP23.87
Rot. Bonds10

About 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine

5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine (PubChem CID 90139898) has the molecular formula C85H66N2O2 and a molecular weight of 1147.47 g/mol. Its IUPAC name is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
PubChem CID90139898
Molecular FormulaC85H66N2O2
Molecular Weight1147.47 g/mol
Exact Mass1146.51
IUPAC Name5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c2-3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C85H66N2O2/c1-83(2,3)57-43-47-61(48-44-57)86(75-41-23-39-70-68-37-21-35-64(79(68)88-81(70)75)55-25-11-7-12-26-55)63-51-52-72-73(53-63)85(59-29-15-9-16-30-59,60-31-17-10-18-32-60)74-54-77(66-33-19-20-34-67(66)78(72)74)87(62-49-45-58(46-50-62)84(4,5)6)76-42-24-40-71-69-38-22-36-65(80(69)89-82(71)76)56-27-13-8-14-28-56/h7-54H,1-6H3
InChIKeyBYZDIRVZZRSDGB-UHFFFAOYSA-N
XLogP23.87
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.47
LogP ≤ 523.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139897
12,12-diphenyl-9-N,15-N-bis(6-phenyldibenzofuran-4-yl)-9-N,15-N-bis(4-propylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140065
12,12-diphenyl-9-N,15-N-bis(6-phenyldibenzofuran-4-yl)-9-N,15-N-bis(3,4,5-trimethylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140073
5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine
CID 159238258
5-N,9-N-bis(6-cyclopentyldibenzofuran-4-yl)-7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139959
N-(9,9-diphenylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 169021988
2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine
CID 154955026
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 158201321
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550480
5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 90139883
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-9,9-bis(4-phenylphenyl)fluoren-2-amine
CID 158372369
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122140

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine (CID 90139898) is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c2-3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine?
The InChIKey is BYZDIRVZZRSDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H66N2O2/c1-83(2,3)57-43-47-61(48-44-57)86(75-41-23-39-70-68-37-21-35-64(79(68)88-81(70)75)55-25-11-7-12-26-55)63-51-52-72-73(53-63)85(59-29-15-9-16-30-59,60-31-17-10-18-32-60)74-54-77(66-33-19-20-34-67(66)78(72)74)87(62-49-45-58(46-50-62)84(4,5)6)76-42-24-40-71-69-38-22-36-65(80(69)89-82(71)76)56-27-13-8-14-28-56/h7-54H,1-6H3.
What are the key properties of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine?
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine has a molecular weight of 1147.47 g/mol, XLogP of 23.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 90139898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).