4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline

C69H45NO — CID 171799116

IUPAC4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2cc3c(oc4ccccc43)c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c21
InChIInChI=1S/C69H45NO/c1-3-19-52-44(15-1)17-13-25-54(52)46-31-37-49(38-32-46)70(50-39-33-47(34-40-50)55-26-14-18-45-16-2-4-20-53(45)55)51-41-35-48(36-42-51)66-67-60(43-61-59-24-8-12-30-65(59)71-68(61)66)58-23-7-11-29-64(58)69(67)62-27-9-5-21-56(62)57-22-6-10-28-63(57)69/h1-5,7-21,23-43H,6,22H2
InChIKeyKOLFCNAJCHXBNK-UHFFFAOYSA-N
MW904.12 g/mol
LogP18.80
Rot. Bonds6

About 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline

4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline (PubChem CID 171799116) has the molecular formula C69H45NO and a molecular weight of 904.12 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline
PubChem CID171799116
Molecular FormulaC69H45NO
Molecular Weight904.12 g/mol
Exact Mass903.35
IUPAC Name4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2cc3c(oc4ccccc43)c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c21
InChIInChI=1S/C69H45NO/c1-3-19-52-44(15-1)17-13-25-54(52)46-31-37-49(38-32-46)70(50-39-33-47(34-40-50)55-26-14-18-45-16-2-4-20-53(45)55)51-41-35-48(36-42-51)66-67-60(43-61-59-24-8-12-30-65(59)71-68(61)66)58-23-7-11-29-64(58)69(67)62-27-9-5-21-56(62)57-22-6-10-28-63(57)69/h1-5,7-21,23-43H,6,22H2
InChIKeyKOLFCNAJCHXBNK-UHFFFAOYSA-N
XLogP18.80
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.12
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
CID 171799035
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline
CID 118145847
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
CID 171799120
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline
CID 171799159
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168840185
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170421354

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline?
The IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline (CID 171799116) is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline.
What is the SMILES notation for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline?
The canonical SMILES for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2cc3c(oc4ccccc43)c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c21.
What is the InChIKey of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline?
The InChIKey is KOLFCNAJCHXBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45NO/c1-3-19-52-44(15-1)17-13-25-54(52)46-31-37-49(38-32-46)70(50-39-33-47(34-40-50)55-26-14-18-45-16-2-4-20-53(45)55)51-41-35-48(36-42-51)66-67-60(43-61-59-24-8-12-30-65(59)71-68(61)66)58-23-7-11-29-64(58)69(67)62-27-9-5-21-56(62)57-22-6-10-28-63(57)69/h1-5,7-21,23-43H,6,22H2.
What are the key properties of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline?
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline has a molecular weight of 904.12 g/mol, XLogP of 18.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline is sourced from PubChem (CID 171799116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).