N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine

C47H33NO — CID 170675648

IUPACN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4ccccc4)cc4c3oc3cc5ccccc5cc34)cc21
InChIInChI=1S/C47H33NO/c1-47(2)42-19-11-10-18-38(42)39-23-22-37(29-43(39)47)48(36-21-20-31-14-6-7-15-32(31)24-36)44-27-35(30-12-4-3-5-13-30)26-41-40-25-33-16-8-9-17-34(33)28-45(40)49-46(41)44/h3-29H,1-2H3
InChIKeyADQUFBOFFYDEBG-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.34
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 170675648) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine
PubChem CID170675648
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4ccccc4)cc4c3oc3cc5ccccc5cc34)cc21
InChIInChI=1S/C47H33NO/c1-47(2)42-19-11-10-18-38(42)39-23-22-37(29-43(39)47)48(36-21-20-31-14-6-7-15-32(31)24-36)44-27-35(30-12-4-3-5-13-30)26-41-40-25-33-16-8-9-17-34(33)28-45(40)49-46(41)44/h3-29H,1-2H3
InChIKeyADQUFBOFFYDEBG-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-8-amine
CID 147619926
N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine
CID 159683497
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 155423705
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(2-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(2-phenyldibenzofuran-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161039193
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 167143361
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315
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
9,9-dimethyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919240
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine
CID 170675216
9,9-dimethyl-N-[4-(19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433597
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine (CID 170675648) is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4ccccc4)cc4c3oc3cc5ccccc5cc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is ADQUFBOFFYDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-47(2)42-19-11-10-18-38(42)39-23-22-37(29-43(39)47)48(36-21-20-31-14-6-7-15-32(31)24-36)44-27-35(30-12-4-3-5-13-30)26-41-40-25-33-16-8-9-17-34(33)28-45(40)49-46(41)44/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 627.79 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2-phenylnaphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 170675648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).