N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine

C43H28N2O2 — CID 162486939

IUPACN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4ccccc4c3)c3ccc4c5c3c3cccc6c3n5-c3c(cccc3O4)O6)ccc21
InChIInChI=1S/C43H28N2O2/c1-43(2)32-13-6-5-11-29(32)31-24-28(19-20-33(31)43)44(27-18-17-25-9-3-4-10-26(25)23-27)34-21-22-38-42-39(34)30-12-7-14-35-40(30)45(42)41-36(46-35)15-8-16-37(41)47-38/h3-24H,1-2H3
InChIKeyKSPVKZWEFUBFIH-UHFFFAOYSA-N
MW604.71 g/mol
LogP11.92
Rot. Bonds3

About N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine

N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine (PubChem CID 162486939) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine
PubChem CID162486939
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4ccccc4c3)c3ccc4c5c3c3cccc6c3n5-c3c(cccc3O4)O6)ccc21
InChIInChI=1S/C43H28N2O2/c1-43(2)32-13-6-5-11-29(32)31-24-28(19-20-33(31)43)44(27-18-17-25-9-3-4-10-26(25)23-27)34-21-22-38-42-39(34)30-12-7-14-35-40(30)45(42)41-36(46-35)15-8-16-37(41)47-38/h3-24H,1-2H3
InChIKeyKSPVKZWEFUBFIH-UHFFFAOYSA-N
XLogP11.92
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine with MolForge

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Related Compounds

N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 162486877
N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 162486886
9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774413
N,N-bis(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-20-amine
CID 170656639
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-1,9-diphenylcarbazol-4-amine
CID 165155491
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410938
N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183210
9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
CID 169039849
12-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N-diphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855950
12-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855781
N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-N-naphthalen-1-yl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-14-amine
CID 170656468

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine (CID 162486939) is N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4ccccc4c3)c3ccc4c5c3c3cccc6c3n5-c3c(cccc3O4)O6)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine?
The InChIKey is KSPVKZWEFUBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-43(2)32-13-6-5-11-29(32)31-24-28(19-20-33(31)43)44(27-18-17-25-9-3-4-10-26(25)23-27)34-21-22-38-42-39(34)30-12-7-14-35-40(30)45(42)41-36(46-35)15-8-16-37(41)47-38/h3-24H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine?
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine has a molecular weight of 604.71 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine is sourced from PubChem (CID 162486939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).