N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine

C50H31NO — CID 166033125

IUPACN-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4cc2-3)cc1
InChIInChI=1S/C50H31NO/c1-4-14-32(15-5-1)47-40-21-10-11-22-41(40)48(33-16-6-2-7-17-33)50-44-30-35-28-37(25-24-34(35)29-43(44)49(47)50)51(36-18-8-3-9-19-36)38-26-27-46-42(31-38)39-20-12-13-23-45(39)52-46/h1-31H
InChIKeyVKNXMRHZKFSRER-UHFFFAOYSA-N
MW661.80 g/mol
LogP14.34
Rot. Bonds5

About N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine

N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine (PubChem CID 166033125) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine
PubChem CID166033125
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC NameN-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4cc2-3)cc1
InChIInChI=1S/C50H31NO/c1-4-14-32(15-5-1)47-40-21-10-11-22-41(40)48(33-16-6-2-7-17-33)50-44-30-35-28-37(25-24-34(35)29-43(44)49(47)50)51(36-18-8-3-9-19-36)38-26-27-46-42(31-38)39-20-12-13-23-45(39)52-46/h1-31H
InChIKeyVKNXMRHZKFSRER-UHFFFAOYSA-N
XLogP14.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine with MolForge

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Related Compounds

6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032207
N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine
CID 164748014
N-(4-dibenzofuran-2-ylphenyl)-16-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033497
N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 134453715
13,20-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032727
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751
5-bromo-3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122552089
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yldibenzofuran-2-amine
CID 169062543

Frequently Asked Questions

What is the IUPAC name of N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine (CID 166033125) is N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4cc2-3)cc1.
What is the InChIKey of N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine?
The InChIKey is VKNXMRHZKFSRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-4-14-32(15-5-1)47-40-21-10-11-22-41(40)48(33-16-6-2-7-17-33)50-44-30-35-28-37(25-24-34(35)29-43(44)49(47)50)51(36-18-8-3-9-19-36)38-26-27-46-42(31-38)39-20-12-13-23-45(39)52-46/h1-31H.
What are the key properties of N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine?
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine has a molecular weight of 661.80 g/mol, XLogP of 14.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 166033125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).