N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

C63H43NO — CID 122493607

IUPACN-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccc7oc8ccccc8c7c6)cc5)ccc4c3cc21
InChIInChI=1S/C63H43NO/c1-63(2)59-18-10-8-16-52(59)57-38-55-50-15-7-6-14-49(50)54-36-45(28-34-51(54)56(55)39-60(57)63)44-26-31-47(32-27-44)64(48-33-35-62-58(37-48)53-17-9-11-19-61(53)65-62)46-29-24-43(25-30-46)42-22-20-41(21-23-42)40-12-4-3-5-13-40/h3-39H,1-2H3
InChIKeyYZWRQKJRJXNUIA-UHFFFAOYSA-N
MW830.04 g/mol
LogP17.82
Rot. Bonds6

About N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 122493607) has the molecular formula C63H43NO and a molecular weight of 830.04 g/mol. Its IUPAC name is N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID122493607
Molecular FormulaC63H43NO
Molecular Weight830.04 g/mol
Exact Mass829.33
IUPAC NameN-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccc7oc8ccccc8c7c6)cc5)ccc4c3cc21
InChIInChI=1S/C63H43NO/c1-63(2)59-18-10-8-16-52(59)57-38-55-50-15-7-6-14-49(50)54-36-45(28-34-51(54)56(55)39-60(57)63)44-26-31-47(32-27-44)64(48-33-35-62-58(37-48)53-17-9-11-19-61(53)65-62)46-29-24-43(25-30-46)42-22-20-41(21-23-42)40-12-4-3-5-13-40/h3-39H,1-2H3
InChIKeyYZWRQKJRJXNUIA-UHFFFAOYSA-N
XLogP17.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.04
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine with MolForge

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Related Compounds

N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine
CID 158550315
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170667922
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167121601
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 161070443
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050022

Frequently Asked Questions

What is the IUPAC name of N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 122493607) is N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is CC1(C)c2ccccc2-c2cc3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccc7oc8ccccc8c7c6)cc5)ccc4c3cc21.
What is the InChIKey of N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is YZWRQKJRJXNUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO/c1-63(2)59-18-10-8-16-52(59)57-38-55-50-15-7-6-14-49(50)54-36-45(28-34-51(54)56(55)39-60(57)63)44-26-31-47(32-27-44)64(48-33-35-62-58(37-48)53-17-9-11-19-61(53)65-62)46-29-24-43(25-30-46)42-22-20-41(21-23-42)40-12-4-3-5-13-40/h3-39H,1-2H3.
What are the key properties of N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 830.04 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 122493607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).