N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine

C46H29NO — CID 156512739

IUPACN-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5c(cccc35)-c3ccccc3-c3ccccc3-4)c2)cc1
InChIInChI=1S/C46H29NO/c1-2-12-30(13-3-1)31-14-10-15-32(28-31)47(33-24-25-39-38-20-8-9-23-44(38)48-45(39)29-33)43-27-26-41-37-19-7-5-17-35(37)34-16-4-6-18-36(34)40-21-11-22-42(43)46(40)41/h1-29H
InChIKeyZNSQXGDPGREKOM-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.19
Rot. Bonds4

About N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine

N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 156512739) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID156512739
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5c(cccc35)-c3ccccc3-c3ccccc3-4)c2)cc1
InChIInChI=1S/C46H29NO/c1-2-12-30(13-3-1)31-14-10-15-32(28-31)47(33-24-25-39-38-20-8-9-23-44(38)48-45(39)29-33)43-27-26-41-37-19-7-5-17-35(37)34-16-4-6-18-36(34)40-21-11-22-42(43)46(40)41/h1-29H
InChIKeyZNSQXGDPGREKOM-UHFFFAOYSA-N
XLogP13.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine with MolForge

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Related Compounds

N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964459
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122906
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852

Frequently Asked Questions

What is the IUPAC name of N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 156512739) is N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5c(cccc35)-c3ccccc3-c3ccccc3-4)c2)cc1.
What is the InChIKey of N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is ZNSQXGDPGREKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-12-30(13-3-1)31-14-10-15-32(28-31)47(33-24-25-39-38-20-8-9-23-44(38)48-45(39)29-33)43-27-26-41-37-19-7-5-17-35(37)34-16-4-6-18-36(34)40-21-11-22-42(43)46(40)41/h1-29H.
What are the key properties of N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine?
N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 611.74 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 156512739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).