N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C53H39NO — CID 155440877

IUPACN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3cc4c(oc5cccc(-c6cccc7ccccc67)c54)c4ccccc34)ccc2C2C=CC=CC21
InChIInChI=1S/C53H39NO/c1-53(2)47-27-11-10-22-41(47)42-30-29-38(32-48(42)53)54(37-20-12-19-36(31-37)34-15-4-3-5-16-34)49-33-46-51-44(40-25-13-18-35-17-6-7-21-39(35)40)26-14-28-50(51)55-52(46)45-24-9-8-23-43(45)49/h3-33,41,47H,1-2H3
InChIKeyZSYOMMMBTYASBY-UHFFFAOYSA-N
MW705.90 g/mol
LogP14.81
Rot. Bonds5

About N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155440877) has the molecular formula C53H39NO and a molecular weight of 705.90 g/mol. Its IUPAC name is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155440877
Molecular FormulaC53H39NO
Molecular Weight705.90 g/mol
Exact Mass705.30
IUPAC NameN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3cc4c(oc5cccc(-c6cccc7ccccc67)c54)c4ccccc34)ccc2C2C=CC=CC21
InChIInChI=1S/C53H39NO/c1-53(2)47-27-11-10-22-41(47)42-30-29-38(32-48(42)53)54(37-20-12-19-36(31-37)34-15-4-3-5-16-34)49-33-46-51-44(40-25-13-18-35-17-6-7-21-39(35)40)26-14-28-50(51)55-52(46)45-24-9-8-23-43(45)49/h3-33,41,47H,1-2H3
InChIKeyZSYOMMMBTYASBY-UHFFFAOYSA-N
XLogP14.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.90
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 147538410
N-naphthalen-1-yl-7-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423929
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423836
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155424007
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 176987223
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423638
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
N,N-bis(9,9-diphenylfluoren-2-yl)-7-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-1-yl-N,N-bis(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
CID 157344365
N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 167143301
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167277566

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of 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) is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is CC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3cc4c(oc5cccc(-c6cccc7ccccc67)c54)c4ccccc34)ccc2C2C=CC=CC21.
What is the InChIKey of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is ZSYOMMMBTYASBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NO/c1-53(2)47-27-11-10-22-41(47)42-30-29-38(32-48(42)53)54(37-20-12-19-36(31-37)34-15-4-3-5-16-34)49-33-46-51-44(40-25-13-18-35-17-6-7-21-39(35)40)26-14-28-50(51)55-52(46)45-24-9-8-23-43(45)49/h3-33,41,47H,1-2H3.
What are the key properties of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 705.90 g/mol, XLogP of 14.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155440877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).