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

C55H35NO2 — CID 165068262

IUPACN-[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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C5)cc3)c3ccc(-c4cccc5c4oc4c5ccc5oc6ccccc6c54)cc3)cc2)cc1
InChIInChI=1S/C55H35NO2/c1-2-9-35(10-3-1)36-19-25-42(26-20-36)56(43-27-21-37(22-28-43)39-17-18-41-33-40-11-4-5-12-45(40)50(41)34-39)44-29-23-38(24-30-44)46-14-8-15-47-48-31-32-52-53(55(48)58-54(46)47)49-13-6-7-16-51(49)57-52/h1-32,34H,33H2
InChIKeyUULJFVJETHHHIH-UHFFFAOYSA-N
MW741.89 g/mol
LogP15.53
Rot. Bonds6

About 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

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 (PubChem CID 165068262) has the molecular formula C55H35NO2 and a molecular weight of 741.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID165068262
Molecular FormulaC55H35NO2
Molecular Weight741.89 g/mol
Exact Mass741.27
IUPAC NameN-[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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C5)cc3)c3ccc(-c4cccc5c4oc4c5ccc5oc6ccccc6c54)cc3)cc2)cc1
InChIInChI=1S/C55H35NO2/c1-2-9-35(10-3-1)36-19-25-42(26-20-36)56(43-27-21-37(22-28-43)39-17-18-41-33-40-11-4-5-12-45(40)50(41)34-39)44-29-23-38(24-30-44)46-14-8-15-47-48-31-32-52-53(55(48)58-54(46)47)49-13-6-7-16-51(49)57-52/h1-32,34H,33H2
InChIKeyUULJFVJETHHHIH-UHFFFAOYSA-N
XLogP15.53
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168805047
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
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
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]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline;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]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;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-phenanthren-9-ylphenyl)-4-phenylaniline
CID 165084187
N-(4-dibenzofuran-4-ylphenyl)-3-(9H-fluoren-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146516973
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919212
7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine
CID 160698351

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C5)cc3)c3ccc(-c4cccc5c4oc4c5ccc5oc6ccccc6c54)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is UULJFVJETHHHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2/c1-2-9-35(10-3-1)36-19-25-42(26-20-36)56(43-27-21-37(22-28-43)39-17-18-41-33-40-11-4-5-12-45(40)50(41)34-39)44-29-23-38(24-30-44)46-14-8-15-47-48-31-32-52-53(55(48)58-54(46)47)49-13-6-7-16-51(49)57-52/h1-32,34H,33H2.
What are the key properties of 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?
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 has a molecular weight of 741.89 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165068262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).