N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine

C44H33NO — CID 170052329

IUPACN-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine
SMILESC1=Cc2c(oc3ccc4cc(C5=CC=C(N(c6ccccc6)c6ccc7cc(-c8ccccc8)ccc7c6)CC5)ccc4c23)CC1
InChIInChI=1S/C44H33NO/c1-3-9-30(10-4-1)32-15-16-35-29-39(24-19-34(35)27-32)45(37-11-5-2-6-12-37)38-22-17-31(18-23-38)33-20-25-40-36(28-33)21-26-43-44(40)41-13-7-8-14-42(41)46-43/h1-7,9-13,15-17,19-22,24-29H,8,14,18,23H2
InChIKeyDSILRKVRCVLHCZ-UHFFFAOYSA-N
MW591.75 g/mol
LogP12.27
Rot. Bonds5

About N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine

N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine (PubChem CID 170052329) has the molecular formula C44H33NO and a molecular weight of 591.75 g/mol. Its IUPAC name is N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine
PubChem CID170052329
Molecular FormulaC44H33NO
Molecular Weight591.75 g/mol
Exact Mass591.26
IUPAC NameN-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine
SMILESC1=Cc2c(oc3ccc4cc(C5=CC=C(N(c6ccccc6)c6ccc7cc(-c8ccccc8)ccc7c6)CC5)ccc4c23)CC1
InChIInChI=1S/C44H33NO/c1-3-9-30(10-4-1)32-15-16-35-29-39(24-19-34(35)27-32)45(37-11-5-2-6-12-37)38-22-17-31(18-23-38)33-20-25-40-36(28-33)21-26-43-44(40)41-13-7-8-14-42(41)46-43/h1-7,9-13,15-17,19-22,24-29H,8,14,18,23H2
InChIKeyDSILRKVRCVLHCZ-UHFFFAOYSA-N
XLogP12.27
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.75
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine
CID 135189607
3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 170238372
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine
CID 70881589
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 91240988
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
6-[4-(10-phenylanthracen-9-yl)phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene
CID 163586642
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
3-cyclohexa-1,3-dien-1-yl-N-[4-(18-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,11,14,16(21),17,19-nonaenyl)phenyl]-N-(4-phenylphenyl)aniline;ethane
CID 144960079

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine?
The IUPAC name of N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine (CID 170052329) is N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine?
The canonical SMILES for N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine is C1=Cc2c(oc3ccc4cc(C5=CC=C(N(c6ccccc6)c6ccc7cc(-c8ccccc8)ccc7c6)CC5)ccc4c23)CC1.
What is the InChIKey of N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine?
The InChIKey is DSILRKVRCVLHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NO/c1-3-9-30(10-4-1)32-15-16-35-29-39(24-19-34(35)27-32)45(37-11-5-2-6-12-37)38-22-17-31(18-23-38)33-20-25-40-36(28-33)21-26-43-44(40)41-13-7-8-14-42(41)46-43/h1-7,9-13,15-17,19-22,24-29H,8,14,18,23H2.
What are the key properties of N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine?
N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine has a molecular weight of 591.75 g/mol, XLogP of 12.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine is sourced from PubChem (CID 170052329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).