N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C46H28FN3O2 — CID 155428244

IUPACN-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C46H28FN3O2/c47-31-17-20-32(21-18-31)49-38-11-4-3-10-36(38)37-27-34(22-24-39(37)49)48(33-19-16-29-8-1-2-9-30(29)26-33)35-23-25-41-45(28-35)52-44-15-7-14-43-46(44)50(41)40-12-5-6-13-42(40)51-43/h1-28H
InChIKeySJMVSHKLDBDEMD-UHFFFAOYSA-N
MW673.75 g/mol
LogP13.23
Rot. Bonds4

About N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 155428244) has the molecular formula C46H28FN3O2 and a molecular weight of 673.75 g/mol. Its IUPAC name is N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound NameN-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID155428244
Molecular FormulaC46H28FN3O2
Molecular Weight673.75 g/mol
Exact Mass673.22
IUPAC NameN-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C46H28FN3O2/c47-31-17-20-32(21-18-31)49-38-11-4-3-10-36(38)37-27-34(22-24-39(37)49)48(33-19-16-29-8-1-2-9-30(29)26-33)35-23-25-41-45(28-35)52-44-15-7-14-43-46(44)50(41)40-12-5-6-13-42(40)51-43/h1-28H
InChIKeySJMVSHKLDBDEMD-UHFFFAOYSA-N
XLogP13.23
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.75
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine with MolForge

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Related Compounds

9-(2,6-Dimethoxyphenyl)-10-(5-fluoro-2-methoxyphenyl)-1,8-dimethoxyacridin-10-ium
CID 118039273
9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine
CID 121357317
N-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 121357360
N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 121357372
9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine
CID 124183715
N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 126629739
N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 126629799
N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 126647948
N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine
CID 126681143
N-(9,9-dimethylxanthen-3-yl)-N-(2,3,4,5,6-pentafluorophenyl)-7-phenylbenzo[c]carbazol-10-amine
CID 126681147
5,13-Difluoro-25-(4-phenylquinazolin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene
CID 134560628
10-(9-Fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 144840668

Frequently Asked Questions

What is the IUPAC name of N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 155428244) is N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is SJMVSHKLDBDEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28FN3O2/c47-31-17-20-32(21-18-31)49-38-11-4-3-10-36(38)37-27-34(22-24-39(37)49)48(33-19-16-29-8-1-2-9-30(29)26-33)35-23-25-41-45(28-35)52-44-15-7-14-43-46(44)50(41)40-12-5-6-13-42(40)51-43/h1-28H.
What are the key properties of N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 673.75 g/mol, XLogP of 13.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-fluorophenyl)carbazol-3-yl]-N-naphthalen-2-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 155428244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).