N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine

C165H107N5O — CID 165022817

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C55H36N2.C55H35NO/c1-3-18-37(19-4-1)40-22-10-15-31-50(40)57(39-34-35-52-45(36-39)43-25-11-16-32-51(43)56(52)38-20-5-2-6-21-38)53-33-17-30-49-54(53)44-26-9-14-29-48(44)55(49)46-27-12-7-23-41(46)42-24-8-13-28-47(42)55;1-3-16-37(17-4-1)38-30-32-40(33-31-38)56(41-34-35-52-46(36-41)44-22-10-14-28-51(44)57(52)39-18-5-2-6-19-39)53-29-15-27-50-54(53)45-23-9-13-26-49(45)55(50)47-24-11-7-20-42(47)43-21-8-12-25-48(43)55;1-2-14-36(15-3-1)37-28-32-39(33-29-37)56(40-34-30-38(31-35-40)41-20-12-27-52-53(41)45-19-7-11-26-51(45)57-52)50-25-13-24-49-54(50)44-18-6-10-23-48(44)55(49)46-21-8-4-16-42(46)43-17-5-9-22-47(43)55/h2*1-36H;1-35H
InChIKeyLKVYJKOJQLLSME-UHFFFAOYSA-N
MW2175.70 g/mol
LogP43.26
Rot. Bonds15

About N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine (PubChem CID 165022817) has the molecular formula C165H107N5O and a molecular weight of 2175.70 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
PubChem CID165022817
Molecular FormulaC165H107N5O
Molecular Weight2175.70 g/mol
Exact Mass2173.85
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C55H36N2.C55H35NO/c1-3-18-37(19-4-1)40-22-10-15-31-50(40)57(39-34-35-52-45(36-39)43-25-11-16-32-51(43)56(52)38-20-5-2-6-21-38)53-33-17-30-49-54(53)44-26-9-14-29-48(44)55(49)46-27-12-7-23-41(46)42-24-8-13-28-47(42)55;1-3-16-37(17-4-1)38-30-32-40(33-31-38)56(41-34-35-52-46(36-41)44-22-10-14-28-51(44)57(52)39-18-5-2-6-19-39)53-29-15-27-50-54(53)45-23-9-13-26-49(45)55(50)47-24-11-7-20-42(47)43-21-8-12-25-48(43)55;1-2-14-36(15-3-1)37-28-32-39(33-29-37)56(40-34-30-38(31-35-40)41-20-12-27-52-53(41)45-19-7-11-26-51(45)57-52)50-25-13-24-49-54(50)44-18-6-10-23-48(44)55(49)46-21-8-4-16-42(46)43-17-5-9-22-47(43)55/h2*1-36H;1-35H
InChIKeyLKVYJKOJQLLSME-UHFFFAOYSA-N
XLogP43.26
TPSA32.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002175.70
LogP ≤ 543.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)carbazol-3-amine
CID 161326780
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 158907379
N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377110
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 156688425
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine (CID 165022817) is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine?
The InChIKey is LKVYJKOJQLLSME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H36N2.C55H35NO/c1-3-18-37(19-4-1)40-22-10-15-31-50(40)57(39-34-35-52-45(36-39)43-25-11-16-32-51(43)56(52)38-20-5-2-6-21-38)53-33-17-30-49-54(53)44-26-9-14-29-48(44)55(49)46-27-12-7-23-41(46)42-24-8-13-28-47(42)55;1-3-16-37(17-4-1)38-30-32-40(33-31-38)56(41-34-35-52-46(36-41)44-22-10-14-28-51(44)57(52)39-18-5-2-6-19-39)53-29-15-27-50-54(53)45-23-9-13-26-49(45)55(50)47-24-11-7-20-42(47)43-21-8-12-25-48(43)55;1-2-14-36(15-3-1)37-28-32-39(33-29-37)56(40-34-30-38(31-35-40)41-20-12-27-52-53(41)45-19-7-11-26-51(45)57-52)50-25-13-24-49-54(50)44-18-6-10-23-48(44)55(49)46-21-8-4-16-42(46)43-17-5-9-22-47(43)55/h2*1-36H;1-35H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine has a molecular weight of 2175.70 g/mol, XLogP of 43.26, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine is sourced from PubChem (CID 165022817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).