N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine

C49H33FN2O — CID 121357354

IUPACN-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5n(-c5ccc(F)cc5)c4c3)c3ccc4c5c(cccc35)Oc3ccccc3-4)cc21
InChIInChI=1S/C49H33FN2O/c1-49(2)41-14-6-3-10-34(41)35-24-22-32(28-42(35)49)51(44-27-26-39-38-12-5-8-16-46(38)53-47-17-9-13-40(44)48(39)47)33-23-25-37-36-11-4-7-15-43(36)52(45(37)29-33)31-20-18-30(50)19-21-31/h3-29H,1-2H3
InChIKeyNLKKOSDKJBQPFA-UHFFFAOYSA-N
MW684.81 g/mol
LogP13.62
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine (PubChem CID 121357354) has the molecular formula C49H33FN2O and a molecular weight of 684.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine
PubChem CID121357354
Molecular FormulaC49H33FN2O
Molecular Weight684.81 g/mol
Exact Mass684.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5n(-c5ccc(F)cc5)c4c3)c3ccc4c5c(cccc35)Oc3ccccc3-4)cc21
InChIInChI=1S/C49H33FN2O/c1-49(2)41-14-6-3-10-34(41)35-24-22-32(28-42(35)49)51(44-27-26-39-38-12-5-8-16-46(38)53-47-17-9-13-40(44)48(39)47)33-23-25-37-36-11-4-7-15-43(36)52(45(37)29-33)31-20-18-30(50)19-21-31/h3-29H,1-2H3
InChIKeyNLKKOSDKJBQPFA-UHFFFAOYSA-N
XLogP13.62
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.81
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine (CID 121357354) is N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5n(-c5ccc(F)cc5)c4c3)c3ccc4c5c(cccc35)Oc3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine?
The InChIKey is NLKKOSDKJBQPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33FN2O/c1-49(2)41-14-6-3-10-34(41)35-24-22-32(28-42(35)49)51(44-27-26-39-38-12-5-8-16-46(38)53-47-17-9-13-40(44)48(39)47)33-23-25-37-36-11-4-7-15-43(36)52(45(37)29-33)31-20-18-30(50)19-21-31/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine has a molecular weight of 684.81 g/mol, XLogP of 13.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine is sourced from PubChem (CID 121357354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).