N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline

C42H30N2O — CID 118187965

IUPACN-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline
SMILESC=Cc1c(C=C)n2c3ccccc3c3cc(-c4ccc(Nc5ccc(C6CC=Cc7c6oc6ccccc76)cc5)cc4)cc1c32
InChIInChI=1S/C42H30N2O/c1-3-31-36-24-28(25-37-33-10-5-7-14-39(33)44(41(36)37)38(31)4-2)26-16-20-29(21-17-26)43-30-22-18-27(19-23-30)32-12-9-13-35-34-11-6-8-15-40(34)45-42(32)35/h3-11,13-25,32,43H,1-2,12H2
InChIKeyQYHFTRYJYHJISI-UHFFFAOYSA-N
MW578.72 g/mol
LogP11.68
Rot. Bonds6

About N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline

N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline (PubChem CID 118187965) has the molecular formula C42H30N2O and a molecular weight of 578.72 g/mol. Its IUPAC name is N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline.

Molecular Properties

Compound NameN-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline
PubChem CID118187965
Molecular FormulaC42H30N2O
Molecular Weight578.72 g/mol
Exact Mass578.24
IUPAC NameN-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline
SMILESC=Cc1c(C=C)n2c3ccccc3c3cc(-c4ccc(Nc5ccc(C6CC=Cc7c6oc6ccccc76)cc5)cc4)cc1c32
InChIInChI=1S/C42H30N2O/c1-3-31-36-24-28(25-37-33-10-5-7-14-39(33)44(41(36)37)38(31)4-2)26-16-20-29(21-17-26)43-30-22-18-27(19-23-30)32-12-9-13-35-34-11-6-8-15-40(34)45-42(32)35/h3-11,13-25,32,43H,1-2,12H2
InChIKeyQYHFTRYJYHJISI-UHFFFAOYSA-N
XLogP11.68
TPSA29.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 511.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline with MolForge

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Related Compounds

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118186893
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 170278129
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 154961760
14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one
CID 142322053
N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374491
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 118188163
N-[4-(9-phenylcarbazol-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 118188114
1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole
CID 159961924
5,10-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162740169
10-triphenylen-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 152828281
4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline
CID 166860816
9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole
CID 163872457

Frequently Asked Questions

What is the IUPAC name of N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline?
The IUPAC name of N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline (CID 118187965) is N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline.
What is the SMILES notation for N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline?
The canonical SMILES for N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline is C=Cc1c(C=C)n2c3ccccc3c3cc(-c4ccc(Nc5ccc(C6CC=Cc7c6oc6ccccc76)cc5)cc4)cc1c32.
What is the InChIKey of N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline?
The InChIKey is QYHFTRYJYHJISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2O/c1-3-31-36-24-28(25-37-33-10-5-7-14-39(33)44(41(36)37)38(31)4-2)26-16-20-29(21-17-26)43-30-22-18-27(19-23-30)32-12-9-13-35-34-11-6-8-15-40(34)45-42(32)35/h3-11,13-25,32,43H,1-2,12H2.
What are the key properties of N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline?
N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline has a molecular weight of 578.72 g/mol, XLogP of 11.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-yl]phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)aniline is sourced from PubChem (CID 118187965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).