N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine

C47H33NO — CID 168740105

IUPACN-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
SMILESCC1(C)c2ccccc2-c2cc3ccc4c(N(c5ccccc5)c5cccc(-c6cccc7c6oc6ccccc67)c5)cccc4c3cc21
InChIInChI=1S/C47H33NO/c1-47(2)42-22-8-6-17-36(42)41-28-31-25-26-37-35(40(31)29-43(41)47)20-12-23-44(37)48(32-14-4-3-5-15-32)33-16-10-13-30(27-33)34-19-11-21-39-38-18-7-9-24-45(38)49-46(34)39/h3-29H,1-2H3
InChIKeyKXURDJMSAPDGEE-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.34
Rot. Bonds4

About N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine

N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine (PubChem CID 168740105) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
PubChem CID168740105
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
SMILESCC1(C)c2ccccc2-c2cc3ccc4c(N(c5ccccc5)c5cccc(-c6cccc7c6oc6ccccc67)c5)cccc4c3cc21
InChIInChI=1S/C47H33NO/c1-47(2)42-22-8-6-17-36(42)41-28-31-25-26-37-35(40(31)29-43(41)47)20-12-23-44(37)48(32-14-4-3-5-15-32)33-16-10-13-30(27-33)34-19-11-21-39-38-18-7-9-24-45(38)49-46(34)39/h3-29H,1-2H3
InChIKeyKXURDJMSAPDGEE-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine with MolForge

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Related Compounds

3-N-(10,10-dimethyl-18-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N-diphenyl-3-N-[3-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171052277
10,10-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 168739653
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(5-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine
CID 167233836
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
4-[3-[4-(10,10-dimethyl-16-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)phenyl]phenyl]dibenzofuran
CID 118360081
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321641
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 160715324
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
5-N,16-N-di(dibenzofuran-4-yl)-5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633431

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine (CID 168740105) is N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine is CC1(C)c2ccccc2-c2cc3ccc4c(N(c5ccccc5)c5cccc(-c6cccc7c6oc6ccccc67)c5)cccc4c3cc21.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
The InChIKey is KXURDJMSAPDGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-47(2)42-22-8-6-17-36(42)41-28-31-25-26-37-35(40(31)29-43(41)47)20-12-23-44(37)48(32-14-4-3-5-15-32)33-16-10-13-30(27-33)34-19-11-21-39-38-18-7-9-24-45(38)49-46(34)39/h3-29H,1-2H3.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine has a molecular weight of 627.79 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine is sourced from PubChem (CID 168740105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).