N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine

C54H40N2O — CID 134392953

IUPACN-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(N(c2ccccc2)c2ccc4c5c(n(-c6ccccc6)c4c2)-c2c(ccc4ccccc24)C5(C)C)c13
InChIInChI=1S/C54H40N2O/c1-53(2)42-23-14-13-22-38(42)40-31-41-48(32-44(40)53)57-47-25-15-24-45(50(41)47)55(34-17-7-5-8-18-34)36-27-28-39-46(30-36)56(35-19-9-6-10-20-35)52-49-37-21-12-11-16-33(37)26-29-43(49)54(3,4)51(39)52/h5-32H,1-4H3
InChIKeyNDRXQNJZKKUSAA-UHFFFAOYSA-N
MW732.93 g/mol
LogP14.77
Rot. Bonds4

About N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine

N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine (PubChem CID 134392953) has the molecular formula C54H40N2O and a molecular weight of 732.93 g/mol. Its IUPAC name is N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine.

Molecular Properties

Compound NameN-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine
PubChem CID134392953
Molecular FormulaC54H40N2O
Molecular Weight732.93 g/mol
Exact Mass732.31
IUPAC NameN-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(N(c2ccccc2)c2ccc4c5c(n(-c6ccccc6)c4c2)-c2c(ccc4ccccc24)C5(C)C)c13
InChIInChI=1S/C54H40N2O/c1-53(2)42-23-14-13-22-38(42)40-31-41-48(32-44(40)53)57-47-25-15-24-45(50(41)47)55(34-17-7-5-8-18-34)36-27-28-39-46(30-36)56(35-19-9-6-10-20-35)52-49-37-21-12-11-16-33(37)26-29-43(49)54(3,4)51(39)52/h5-32H,1-4H3
InChIKeyNDRXQNJZKKUSAA-UHFFFAOYSA-N
XLogP14.77
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indol-7-amine
CID 134392952
N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine
CID 134393119
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-amine
CID 170353028
N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
CID 138484797
N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
CID 177122168
1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171052298
N-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-N-phenyldibenzofuran-1-amine
CID 164721623
N-chrysen-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-3-amine
CID 170139265
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 164774440
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577371
N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine?
The IUPAC name of N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine (CID 134392953) is N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine.
What is the SMILES notation for N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine?
The canonical SMILES for N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(N(c2ccccc2)c2ccc4c5c(n(-c6ccccc6)c4c2)-c2c(ccc4ccccc24)C5(C)C)c13.
What is the InChIKey of N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine?
The InChIKey is NDRXQNJZKKUSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O/c1-53(2)42-23-14-13-22-38(42)40-31-41-48(32-44(40)53)57-47-25-15-24-45(50(41)47)55(34-17-7-5-8-18-34)36-27-28-39-46(30-36)56(35-19-9-6-10-20-35)52-49-37-21-12-11-16-33(37)26-29-43(49)54(3,4)51(39)52/h5-32H,1-4H3.
What are the key properties of N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine?
N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine has a molecular weight of 732.93 g/mol, XLogP of 14.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-11,11-dimethyl-N,3-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine is sourced from PubChem (CID 134392953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).