N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine

C45H35NO — CID 177080188

IUPACN-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3ccc3c5ccccc5oc43)cc21
InChIInChI=1S/C45H35NO/c1-3-45(4-2)40-21-10-8-18-34(40)35-25-24-33(29-41(35)45)46(32-17-12-16-31(28-32)30-14-6-5-7-15-30)42-22-13-20-38-36(42)26-27-39-37-19-9-11-23-43(37)47-44(38)39/h5-29H,3-4H2,1-2H3
InChIKeyNQPRNXUSLFICML-UHFFFAOYSA-N
MW605.78 g/mol
LogP12.96
Rot. Bonds6

About N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine

N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine (PubChem CID 177080188) has the molecular formula C45H35NO and a molecular weight of 605.78 g/mol. Its IUPAC name is N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
PubChem CID177080188
Molecular FormulaC45H35NO
Molecular Weight605.78 g/mol
Exact Mass605.27
IUPAC NameN-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3ccc3c5ccccc5oc43)cc21
InChIInChI=1S/C45H35NO/c1-3-45(4-2)40-21-10-8-18-34(40)35-25-24-33(29-41(35)45)46(32-17-12-16-31(28-32)30-14-6-5-7-15-30)42-22-13-20-38-36(42)26-27-39-37-19-9-11-23-43(37)47-44(38)39/h5-29H,3-4H2,1-2H3
InChIKeyNQPRNXUSLFICML-UHFFFAOYSA-N
XLogP12.96
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.78
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 177080186
9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine
CID 177080206
12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine
CID 134393126
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964367
N-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 90262621

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine?
The IUPAC name of N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine (CID 177080188) is N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine.
What is the SMILES notation for N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine?
The canonical SMILES for N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine is CCC1(CC)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3ccc3c5ccccc5oc43)cc21.
What is the InChIKey of N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine?
The InChIKey is NQPRNXUSLFICML-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35NO/c1-3-45(4-2)40-21-10-8-18-34(40)35-25-24-33(29-41(35)45)46(32-17-12-16-31(28-32)30-14-6-5-7-15-30)42-22-13-20-38-36(42)26-27-39-37-19-9-11-23-43(37)47-44(38)39/h5-29H,3-4H2,1-2H3.
What are the key properties of N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine?
N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine has a molecular weight of 605.78 g/mol, XLogP of 12.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine is sourced from PubChem (CID 177080188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).