N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline

C53H35NO — CID 167403227

IUPACN-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7c(-c7ccc8c(c7)Cc7ccccc7-8)cc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-11-35(12-4-1)36-19-25-43(26-20-36)54(42-14-5-2-6-15-42)44-27-21-37(22-28-44)38-24-30-52-50(33-38)51-34-49(47-17-9-10-18-48(47)53(51)55-52)40-23-29-46-41(32-40)31-39-13-7-8-16-45(39)46/h1-30,32-34H,31H2
InChIKeyOUYGKILTVSPYEU-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.78
Rot. Bonds6

About N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline

N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline (PubChem CID 167403227) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline
PubChem CID167403227
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7c(-c7ccc8c(c7)Cc7ccccc7-8)cc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-11-35(12-4-1)36-19-25-43(26-20-36)54(42-14-5-2-6-15-42)44-27-21-37(22-28-44)38-24-30-52-50(33-38)51-34-49(47-17-9-10-18-48(47)53(51)55-52)40-23-29-46-41(32-40)31-39-13-7-8-16-45(39)46/h1-30,32-34H,31H2
InChIKeyOUYGKILTVSPYEU-UHFFFAOYSA-N
XLogP14.78
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859
N-[4-[5-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline
CID 167402855
N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919212
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-4-phenylaniline
CID 165068262
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 167143361
8-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167143670
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-(4-dibenzofuran-4-ylphenyl)-3-(9H-fluoren-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146516973
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline (CID 167403227) is N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7c(-c7ccc8c(c7)Cc7ccccc7-8)cc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is OUYGKILTVSPYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-3-11-35(12-4-1)36-19-25-43(26-20-36)54(42-14-5-2-6-15-42)44-27-21-37(22-28-44)38-24-30-52-50(33-38)51-34-49(47-17-9-10-18-48(47)53(51)55-52)40-23-29-46-41(32-40)31-39-13-7-8-16-45(39)46/h1-30,32-34H,31H2.
What are the key properties of N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline?
N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 701.87 g/mol, XLogP of 14.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 167403227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).