N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine

C67H42N2O — CID 170377110

IUPACN,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
SMILESc1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4c4c(-c5ccccc5)c5c(cc43)oc3ccccc35)cc2)cc1
InChIInChI=1S/C67H42N2O/c1-4-19-43(20-5-1)44-35-37-47(38-36-44)69-58-40-39-48(41-53(58)65-60(69)42-62-66(52-28-13-17-34-61(52)70-62)63(65)45-21-6-2-7-22-45)68(46-23-8-3-9-24-46)59-33-18-32-57-64(59)51-27-12-16-31-56(51)67(57)54-29-14-10-25-49(54)50-26-11-15-30-55(50)67/h1-42H
InChIKeyNSVFGVWDWXNNTM-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.83
Rot. Bonds6

About N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine

N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine (PubChem CID 170377110) has the molecular formula C67H42N2O and a molecular weight of 891.09 g/mol. Its IUPAC name is N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine.

Molecular Properties

Compound NameN,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
PubChem CID170377110
Molecular FormulaC67H42N2O
Molecular Weight891.09 g/mol
Exact Mass890.33
IUPAC NameN,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
SMILESc1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4c4c(-c5ccccc5)c5c(cc43)oc3ccccc35)cc2)cc1
InChIInChI=1S/C67H42N2O/c1-4-19-43(20-5-1)44-35-37-47(38-36-44)69-58-40-39-48(41-53(58)65-60(69)42-62-66(52-28-13-17-34-61(52)70-62)63(65)45-21-6-2-7-22-45)68(46-23-8-3-9-24-46)59-33-18-32-57-64(59)51-27-12-16-31-56(51)67(57)54-29-14-10-25-49(54)50-26-11-15-30-55(50)67/h1-42H
InChIKeyNSVFGVWDWXNNTM-UHFFFAOYSA-N
XLogP17.83
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671
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
3-N-dibenzofuran-4-yl-1-N-phenyl-1-N-(4-phenylphenyl)-3-N-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine
CID 167118056
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
N-(4-phenylphenyl)-N-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-yldibenzofuran-2-amine
CID 130263998
7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376943
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-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
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-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
N-(4-phenylphenyl)-N-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-yldibenzofuran-1-amine
CID 121391790
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424440

Frequently Asked Questions

What is the IUPAC name of N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine?
The IUPAC name of N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine (CID 170377110) is N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine.
What is the SMILES notation for N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine?
The canonical SMILES for N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine is c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4c4c(-c5ccccc5)c5c(cc43)oc3ccccc35)cc2)cc1.
What is the InChIKey of N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine?
The InChIKey is NSVFGVWDWXNNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2O/c1-4-19-43(20-5-1)44-35-37-47(38-36-44)69-58-40-39-48(41-53(58)65-60(69)42-62-66(52-28-13-17-34-61(52)70-62)63(65)45-21-6-2-7-22-45)68(46-23-8-3-9-24-46)59-33-18-32-57-64(59)51-27-12-16-31-56(51)67(57)54-29-14-10-25-49(54)50-26-11-15-30-55(50)67/h1-42H.
What are the key properties of N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine?
N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine has a molecular weight of 891.09 g/mol, XLogP of 17.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine is sourced from PubChem (CID 170377110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).