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

C127H83N3O — CID 160799139

IUPACN-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cccc21
InChIInChI=1S/C43H27NO.C43H29N.C41H27N/c1-5-14-35-30(10-1)31-11-2-6-15-36(31)43(35)37-16-7-3-13-33(37)42-38(43)17-9-18-39(42)44-29-23-20-27(21-24-29)28-22-25-41-34(26-28)32-12-4-8-19-40(32)45-41;1-2-13-29(14-3-1)30-15-10-16-31(27-30)32-17-11-18-33(28-32)44-41-26-12-25-40-42(41)36-21-6-9-24-39(36)43(40)37-22-7-4-19-34(37)35-20-5-8-23-38(35)43;1-2-13-27(14-3-1)28-25-26-38(32-18-5-4-15-29(28)32)42-39-24-12-23-37-40(39)33-19-8-11-22-36(33)41(37)34-20-9-6-16-30(34)31-17-7-10-21-35(31)41/h1-26,44H;1-28,44H;1-26,42H
InChIKeySCVGTHKDXAGCPX-UHFFFAOYSA-N
MW1667.08 g/mol
LogP33.04
Rot. Bonds10

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

N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 160799139) has the molecular formula C127H83N3O and a molecular weight of 1667.08 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID160799139
Molecular FormulaC127H83N3O
Molecular Weight1667.08 g/mol
Exact Mass1665.65
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cccc21
InChIInChI=1S/C43H27NO.C43H29N.C41H27N/c1-5-14-35-30(10-1)31-11-2-6-15-36(31)43(35)37-16-7-3-13-33(37)42-38(43)17-9-18-39(42)44-29-23-20-27(21-24-29)28-22-25-41-34(26-28)32-12-4-8-19-40(32)45-41;1-2-13-29(14-3-1)30-15-10-16-31(27-30)32-17-11-18-33(28-32)44-41-26-12-25-40-42(41)36-21-6-9-24-39(36)43(40)37-22-7-4-19-34(37)35-20-5-8-23-38(35)43;1-2-13-27(14-3-1)28-25-26-38(32-18-5-4-15-29(28)32)42-39-24-12-23-37-40(39)33-19-8-11-22-36(33)41(37)34-20-9-6-16-30(34)31-17-7-10-21-35(31)41/h1-26,44H;1-28,44H;1-26,42H
InChIKeySCVGTHKDXAGCPX-UHFFFAOYSA-N
XLogP33.04
TPSA49.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001667.08
LogP ≤ 533.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139568225
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
9,9-di(dibenzofuran-2-yl)-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 142453747
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine
CID 176760037
N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 172544682
8-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 168793860
4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172545038

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 160799139) is N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cccc21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is SCVGTHKDXAGCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO.C43H29N.C41H27N/c1-5-14-35-30(10-1)31-11-2-6-15-36(31)43(35)37-16-7-3-13-33(37)42-38(43)17-9-18-39(42)44-29-23-20-27(21-24-29)28-22-25-41-34(26-28)32-12-4-8-19-40(32)45-41;1-2-13-29(14-3-1)30-15-10-16-31(27-30)32-17-11-18-33(28-32)44-41-26-12-25-40-42(41)36-21-6-9-24-39(36)43(40)37-22-7-4-19-34(37)35-20-5-8-23-38(35)43;1-2-13-27(14-3-1)28-25-26-38(32-18-5-4-15-29(28)32)42-39-24-12-23-37-40(39)33-19-8-11-22-36(33)41(37)34-20-9-6-16-30(34)31-17-7-10-21-35(31)41/h1-26,44H;1-28,44H;1-26,42H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1667.08 g/mol, XLogP of 33.04, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 160799139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).