N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine

C63H41NO — CID 159324099

IUPACN-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccc(-c6cccc7ccccc67)cc54)cc3)c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C63H41NO/c1-3-16-42(17-4-1)51-38-39-60(55-25-10-9-23-52(51)55)64(48-35-37-57-56-26-12-14-29-61(56)65-62(57)41-48)47-33-31-46(32-34-47)63(45-20-5-2-6-21-45)58-28-13-11-24-53(58)54-36-30-44(40-59(54)63)50-27-15-19-43-18-7-8-22-49(43)50/h1-41H
InChIKeyDUEYMUUANCFERG-UHFFFAOYSA-N
MW828.03 g/mol
LogP17.06
Rot. Bonds7

About N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine

N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine (PubChem CID 159324099) has the molecular formula C63H41NO and a molecular weight of 828.03 g/mol. Its IUPAC name is N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
PubChem CID159324099
Molecular FormulaC63H41NO
Molecular Weight828.03 g/mol
Exact Mass827.32
IUPAC NameN-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccc(-c6cccc7ccccc67)cc54)cc3)c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C63H41NO/c1-3-16-42(17-4-1)51-38-39-60(55-25-10-9-23-52(51)55)64(48-35-37-57-56-26-12-14-29-61(56)65-62(57)41-48)47-33-31-46(32-34-47)63(45-20-5-2-6-21-45)58-28-13-11-24-53(58)54-36-30-44(40-59(54)63)50-27-15-19-43-18-7-8-22-49(43)50/h1-41H
InChIKeyDUEYMUUANCFERG-UHFFFAOYSA-N
XLogP17.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine
CID 167566203
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170535410
N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 121400531
N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167234281
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 121400530
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234337
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022155
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine (CID 159324099) is N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccc(-c6cccc7ccccc67)cc54)cc3)c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine?
The InChIKey is DUEYMUUANCFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NO/c1-3-16-42(17-4-1)51-38-39-60(55-25-10-9-23-52(51)55)64(48-35-37-57-56-26-12-14-29-61(56)65-62(57)41-48)47-33-31-46(32-34-47)63(45-20-5-2-6-21-45)58-28-13-11-24-53(58)54-36-30-44(40-59(54)63)50-27-15-19-43-18-7-8-22-49(43)50/h1-41H.
What are the key properties of N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine?
N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine has a molecular weight of 828.03 g/mol, XLogP of 17.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine is sourced from PubChem (CID 159324099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).