8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine

C61H42N2O — CID 170214633

IUPAC8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
SMILESC1=CC2c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3C3(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-c4c3oc3ccccc43)C2C=C1
InChIInChI=1S/C61H42N2O/c1-4-18-41(19-5-1)43-22-16-27-46(38-43)62(44-23-6-2-7-24-44)47-34-36-51-50-29-12-14-31-54(50)61(55(51)39-47)56-40-48(35-37-52(56)59-53-30-13-15-33-58(53)64-60(59)61)63(45-25-8-3-9-26-45)57-32-17-21-42-20-10-11-28-49(42)57/h1-40,50,54H
InChIKeyKAVOVJISSZWMSJ-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.35
Rot. Bonds7

About 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine

8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine (PubChem CID 170214633) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine.

Molecular Properties

Compound Name8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
PubChem CID170214633
Molecular FormulaC61H42N2O
Molecular Weight819.02 g/mol
Exact Mass818.33
IUPAC Name8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
SMILESC1=CC2c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3C3(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-c4c3oc3ccccc43)C2C=C1
InChIInChI=1S/C61H42N2O/c1-4-18-41(19-5-1)43-22-16-27-46(38-43)62(44-23-6-2-7-24-44)47-34-36-51-50-29-12-14-31-54(50)61(55(51)39-47)56-40-48(35-37-52(56)59-53-30-13-15-33-58(53)64-60(59)61)63(45-25-8-3-9-26-45)57-32-17-21-42-20-10-11-28-49(42)57/h1-40,50,54H
InChIKeyKAVOVJISSZWMSJ-UHFFFAOYSA-N
XLogP16.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine with MolForge

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Related Compounds

2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(2-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-8-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 161431533
2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
CID 134529977
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155440877
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
N-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170400225
N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 134529774
2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 156635059
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
4-N-naphthalen-1-yl-4-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,8'-diamine;7-N'-naphthalen-1-yl-2-N,7-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,7'-diamine;9-N'-naphthalen-1-yl-9-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine;3-N-phenyl-3-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,8'-diamine
CID 158264311
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157298586
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399193

Frequently Asked Questions

What is the IUPAC name of 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?
The IUPAC name of 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine (CID 170214633) is 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine.
What is the SMILES notation for 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?
The canonical SMILES for 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine is C1=CC2c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3C3(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-c4c3oc3ccccc43)C2C=C1.
What is the InChIKey of 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?
The InChIKey is KAVOVJISSZWMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-4-18-41(19-5-1)43-22-16-27-46(38-43)62(44-23-6-2-7-24-44)47-34-36-51-50-29-12-14-31-54(50)61(55(51)39-47)56-40-48(35-37-52(56)59-53-30-13-15-33-58(53)64-60(59)61)63(45-25-8-3-9-26-45)57-32-17-21-42-20-10-11-28-49(42)57/h1-40,50,54H.
What are the key properties of 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?
8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine has a molecular weight of 819.02 g/mol, XLogP of 16.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine is sourced from PubChem (CID 170214633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).