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

C61H41NO — CID 177294664

IUPACN-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccc5c(c4)oc4c6ccccc6ccc54)ccc4c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C61H41NO/c1-61(2)55-23-13-12-21-49(55)50-33-30-43(37-56(50)61)62(42-28-24-39(25-29-42)38-14-4-3-5-15-38)59-44(34-35-53-48-20-9-8-18-46(48)47-19-10-11-22-52(47)58(53)59)41-27-31-51-54-32-26-40-16-6-7-17-45(40)60(54)63-57(51)36-41/h3-37H,1-2H3
InChIKeyHBLZAQHKKXQVJK-UHFFFAOYSA-N
MW804.01 g/mol
LogP17.31
Rot. Bonds5

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

N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine (PubChem CID 177294664) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine
PubChem CID177294664
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccc5c(c4)oc4c6ccccc6ccc54)ccc4c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C61H41NO/c1-61(2)55-23-13-12-21-49(55)50-33-30-43(37-56(50)61)62(42-28-24-39(25-29-42)38-14-4-3-5-15-38)59-44(34-35-53-48-20-9-8-18-46(48)47-19-10-11-22-52(47)58(53)59)41-27-31-51-54-32-26-40-16-6-7-17-45(40)60(54)63-57(51)36-41/h3-37H,1-2H3
InChIKeyHBLZAQHKKXQVJK-UHFFFAOYSA-N
XLogP17.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 169285279
N-(9,9-dimethylfluoren-2-yl)-N,17-bis(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-16-amine
CID 171433310
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine
CID 174261155
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
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)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine
CID 177294690
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine
CID 177294696
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170272231
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 158377953
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine (CID 177294664) is N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccc5c(c4)oc4c6ccccc6ccc54)ccc4c5ccccc5c5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine?
The InChIKey is HBLZAQHKKXQVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-61(2)55-23-13-12-21-49(55)50-33-30-43(37-56(50)61)62(42-28-24-39(25-29-42)38-14-4-3-5-15-38)59-44(34-35-53-48-20-9-8-18-46(48)47-19-10-11-22-52(47)58(53)59)41-27-31-51-54-32-26-40-16-6-7-17-45(40)60(54)63-57(51)36-41/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine?
N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine has a molecular weight of 804.01 g/mol, XLogP of 17.31, 5 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)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine is sourced from PubChem (CID 177294664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).