N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

C59H41NO — CID 171752123

IUPACN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)c4c(c3)oc3c5ccccc5c(-c5ccccc5)cc34)cc21
InChIInChI=1S/C59H41NO/c1-59(2)54-24-14-13-22-48(54)49-32-31-45(35-55(49)59)60(44-29-27-40(28-30-44)38-15-5-3-6-16-38)46-34-52(43-26-25-39-17-9-10-20-42(39)33-43)57-53-37-51(41-18-7-4-8-19-41)47-21-11-12-23-50(47)58(53)61-56(57)36-46/h3-37H,1-2H3
InChIKeyTVNPGQQVAIRTPI-UHFFFAOYSA-N
MW779.98 g/mol
LogP16.67
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 171752123) has the molecular formula C59H41NO and a molecular weight of 779.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID171752123
Molecular FormulaC59H41NO
Molecular Weight779.98 g/mol
Exact Mass779.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)c4c(c3)oc3c5ccccc5c(-c5ccccc5)cc34)cc21
InChIInChI=1S/C59H41NO/c1-59(2)54-24-14-13-22-48(54)49-32-31-45(35-55(49)59)60(44-29-27-40(28-30-44)38-15-5-3-6-16-38)46-34-52(43-26-25-39-17-9-10-20-42(39)33-43)57-53-37-51(41-18-7-4-8-19-41)47-21-11-12-23-50(47)58(53)61-56(57)36-46/h3-37H,1-2H3
InChIKeyTVNPGQQVAIRTPI-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.98
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167252479
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 167143361
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
N-(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-N-(4-phenylphenyl)-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-amine
CID 171433297
N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674899
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 146270972
9,9-dimethyl-N-[4-(16-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 171433044
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167253385
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-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 171752123) is N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)c4c(c3)oc3c5ccccc5c(-c5ccccc5)cc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is TVNPGQQVAIRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO/c1-59(2)54-24-14-13-22-48(54)49-32-31-45(35-55(49)59)60(44-29-27-40(28-30-44)38-15-5-3-6-16-38)46-34-52(43-26-25-39-17-9-10-20-42(39)33-43)57-53-37-51(41-18-7-4-8-19-41)47-21-11-12-23-50(47)58(53)61-56(57)36-46/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 779.98 g/mol, XLogP of 16.67, 6 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)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 171752123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).